Monday, January 23, 2012

http://ChemLookup.com Compounds




CAS RN: 132634-43-6
CAS Name: 5-chloro-6-[(1R,2R)-1-hydroxy-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]propyl]-3-methyl-1,3-benzoxazol-2-one
OPENEYE Name: 5-chloro-6-[(1R,2R)-1-hydroxy-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-3-methyl-1,3-benzoxazol-2-one
IUPAC Name: 5-chloro-6-[(1R,2R)-1-hydroxy-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-3-methyl-1,3-benzoxazol-2-one
SYSTEMATIC NAME: 5-chloranyl-3-methyl-6-[(1R,2R)-1-oxidanyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-1,3-benzoxazol-2-one
MOLECULAR FORMULA: C22H23ClF3N3O3
MOLECULAR WEIGHT: 469.88453
SMILES: C[C@H]([C@@H](C1=CC2=C(C=C1Cl)N(C(=O)O2)C)O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F
Structure:

CAS RN: 132634-42-5
CAS Name: 5-chloro-6-[1-hydroxy-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl]-3-methyl-1,3-benzoxazol-2-one
OPENEYE Name: 5-chloro-6-[1-hydroxy-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3-methyl-1,3-benzoxazol-2-one
IUPAC Name: 5-chloro-6-[1-hydroxy-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3-methyl-1,3-benzoxazol-2-one
SYSTEMATIC NAME: 5-chloranyl-3-methyl-6-[1-oxidanyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one
MOLECULAR FORMULA: C21H21ClF3N3O3
MOLECULAR WEIGHT: 455.85795
SMILES: CN1C2=C(C=C(C(=C2)Cl)C(CN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)O)OC1=O
Structure:

CAS RN: 132634-41-4
CAS Name: 5-chloro-6-[1-hydroxy-2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-3-methyl-1,3-benzoxazol-2-one
OPENEYE Name: 5-chloro-6-[1-hydroxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methyl-1,3-benzoxazol-2-one
IUPAC Name: 5-chloro-6-[1-hydroxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methyl-1,3-benzoxazol-2-one
SYSTEMATIC NAME: 5-chloranyl-6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxidanyl-ethyl]-3-methyl-1,3-benzoxazol-2-one
MOLECULAR FORMULA: C21H24ClN3O4
MOLECULAR WEIGHT: 417.88596
SMILES: CN1C2=C(C=C(C(=C2)Cl)C(CN3CCN(CC3)C4=CC=CC=C4OC)O)OC1=O
Structure:

CAS RN: 132618-14-5
CAS Name: 2-[3-(2-aminoethyl)-1-ethyl-5-[2-[ethyl-[(3-ethyl-2-pyridinyl)methyl]amino]ethyl]-2,4,6-trioxo-3-(2-pyridinylmethyl)-1,3,5-triazinane-1,3-diium-1-yl]ethyl-diethyl-[(3-ethyl-2-pyridinyl)methyl]ammonium trichloride
OPENEYE Name: 2-[3-(2-aminoethyl)-1-ethyl-5-[2-[ethyl-[(3-ethyl-2-pyridyl)methyl]amino]ethyl]-2,4,6-trioxo-3-(2-pyridylmethyl)-1,3,5-triazinane-1,3-diium-1-yl]ethyl-diethyl-[(3-ethyl-2-pyridyl)methyl]ammonium trichloride
IUPAC Name: 2-[3-(2-aminoethyl)-1-ethyl-5-[2-[ethyl-[(3-ethylpyridin-2-yl)methyl]amino]ethyl]-2,4,6-trioxo-3-(pyridin-2-ylmethyl)-1,3,5-triazinane-1,3-diium-1-yl]ethyl-diethyl-[(3-ethylpyridin-2-yl)methyl]azanium trichloride
SYSTEMATIC NAME: 2-[3-(2-azanylethyl)-1-ethyl-5-[2-[ethyl-[(3-ethylpyridin-2-yl)methyl]amino]ethyl]-2,4,6-tris(oxidanylidene)-3-(pyridin-2-ylmethyl)-1,3,5-triazinane-1,3-diium-1-yl]ethyl-diethyl-[(3-ethylpyridin-2-yl)methyl]azanium trichloride
MOLECULAR FORMULA: C39H60Cl3N9O3
MOLECULAR WEIGHT: 809.3112
SMILES: CCC1=C(N=CC=C1)CN(CC)CCN2C(=O)[N+](C(=O)[N+](C2=O)(CCN)CC3=CC=CC=N3)(CC)CC[N+](CC)(CC)CC4=C(C=CC=N4)CC.[Cl-].[Cl-].[Cl-]
Structure:

CAS RN: 132605-29-9
CAS Name: 5-methyl-3-phenyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
OPENEYE Name: 5-methyl-3-phenyl-2-thioxo-5,6,7,8-tetrahydro-1H-benzothiopheno[2,3-d]pyrimidin-4-one
IUPAC Name: 5-methyl-3-phenyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 5-methyl-3-phenyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C17H16N2OS2
MOLECULAR WEIGHT: 328.45174
SMILES: CC1CCCC2=C1C3=C(S2)NC(=S)N(C3=O)C4=CC=CC=C4
Structure:

CAS RN: 132605-25-5
CAS Name: 3-ethyl-6-methyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
OPENEYE Name: 3-ethyl-6-methyl-2-thioxo-5,6,7,8-tetrahydro-1H-benzothiopheno[2,3-d]pyrimidin-4-one
IUPAC Name: 3-ethyl-6-methyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 3-ethyl-6-methyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C13H16N2OS2
MOLECULAR WEIGHT: 280.40894
SMILES: CCN1C(=O)C2=C(NC1=S)SC3=C2CC(CC3)C
Structure:

CAS RN: 132605-22-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H14N2OS2
MOLECULAR WEIGHT: 266.38236
SMILES: CN1C(=O)C2=C(NC1=S)SC3=C2CCCCC3
Structure:

CAS RN: 132605-21-1
CAS Name: 3,6-dimethyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
OPENEYE Name: 3,6-dimethyl-2-thioxo-5,6,7,8-tetrahydro-1H-benzothiopheno[2,3-d]pyrimidin-4-one
IUPAC Name: 3,6-dimethyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 3,6-dimethyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C12H14N2OS2
MOLECULAR WEIGHT: 266.38236
SMILES: CC1CCC2=C(C1)C3=C(S2)NC(=S)N(C3=O)C
Structure:

CAS RN: 132605-20-0
CAS Name: 3,5-dimethyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
OPENEYE Name: 3,5-dimethyl-2-thioxo-5,6,7,8-tetrahydro-1H-benzothiopheno[2,3-d]pyrimidin-4-one
IUPAC Name: 3,5-dimethyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 3,5-dimethyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C12H14N2OS2
MOLECULAR WEIGHT: 266.38236
SMILES: CC1CCCC2=C1C3=C(S2)NC(=S)N(C3=O)C
Structure:

CAS RN: 132605-18-6
CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4-phenyl-2-(phenylcarbamothioylamino)thiophene-3-carboxylate
IUPAC Name: ethyl 4-phenyl-2-(phenylcarbamothioylamino)thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 4-phenyl-2-(phenylcarbamothioylamino)thiophene-3-carboxylate
MOLECULAR FORMULA: C20H18N2O2S2
MOLECULAR WEIGHT: 382.49912
SMILES: CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=S)NC3=CC=CC=C3
Structure:

CAS RN: 132605-15-3
CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 5-methyl-2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
IUPAC Name: ethyl 5-methyl-2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 5-methyl-2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C19H22N2O2S2
MOLECULAR WEIGHT: 374.52018
SMILES: CCOC(=O)C1=C(SC2=C1CC(CC2)C)NC(=S)NC3=CC=CC=C3
Structure:

CAS RN: 132605-14-2
CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 4-methyl-2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
IUPAC Name: ethyl 4-methyl-2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 4-methyl-2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C19H22N2O2S2
MOLECULAR WEIGHT: 374.52018
SMILES: CCOC(=O)C1=C(SC2=C1C(CCC2)C)NC(=S)NC3=CC=CC=C3
Structure:

CAS RN: 132605-12-0
CAS Name: 2-[[ethylamino(sulfanylidene)methyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-(ethylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
IUPAC Name: ethyl 2-(ethylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-(ethylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
MOLECULAR FORMULA: C15H22N2O2S2
MOLECULAR WEIGHT: 326.47738
SMILES: CCNC(=S)NC1=C(C2=C(S1)CCCCC2)C(=O)OCC
Structure:

CAS RN: 132605-11-9
CAS Name: 2-[[ethylamino(sulfanylidene)methyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-(ethylcarbamothioylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
IUPAC Name: ethyl 2-(ethylcarbamothioylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-(ethylcarbamothioylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C15H22N2O2S2
MOLECULAR WEIGHT: 326.47738
SMILES: CCNC(=S)NC1=C(C2=C(S1)CC(CC2)C)C(=O)OCC
Structure:

CAS RN: 132605-10-8
CAS Name: 2-[[ethylamino(sulfanylidene)methyl]amino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-(ethylcarbamothioylamino)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
IUPAC Name: ethyl 2-(ethylcarbamothioylamino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-(ethylcarbamothioylamino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C15H22N2O2S2
MOLECULAR WEIGHT: 326.47738
SMILES: CCNC(=S)NC1=C(C2=C(S1)CCC(C2)C)C(=O)OCC
Structure:

CAS RN: 132605-09-5
CAS Name: 2-[[ethylamino(sulfanylidene)methyl]amino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-(ethylcarbamothioylamino)-4-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
IUPAC Name: ethyl 2-(ethylcarbamothioylamino)-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-(ethylcarbamothioylamino)-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C15H22N2O2S2
MOLECULAR WEIGHT: 326.47738
SMILES: CCNC(=S)NC1=C(C2=C(S1)CCCC2C)C(=O)OCC
Structure:

CAS RN: 132605-08-4
CAS Name: 2-[[methylamino(sulfanylidene)methyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-(methylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate
IUPAC Name: ethyl 2-(methylcarbamothioylamino)-4-phenylthiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-(methylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C15H16N2O2S2
MOLECULAR WEIGHT: 320.42974
SMILES: CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=S)NC
Structure:

CAS RN: 132605-07-3
CAS Name: 2-[[methylamino(sulfanylidene)methyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-(methylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
IUPAC Name: ethyl 2-(methylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-(methylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
MOLECULAR FORMULA: C14H20N2O2S2
MOLECULAR WEIGHT: 312.4508
SMILES: CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC
Structure:

CAS RN: 132605-06-2
CAS Name: 5-methyl-2-[[methylamino(sulfanylidene)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 5-methyl-2-(methylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
IUPAC Name: ethyl 5-methyl-2-(methylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 5-methyl-2-(methylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C14H20N2O2S2
MOLECULAR WEIGHT: 312.4508
SMILES: CCOC(=O)C1=C(SC2=C1CC(CC2)C)NC(=S)NC
Structure:

CAS RN: 132605-05-1
CAS Name: 6-methyl-2-[[methylamino(sulfanylidene)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 6-methyl-2-(methylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
IUPAC Name: ethyl 6-methyl-2-(methylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 6-methyl-2-(methylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C14H20N2O2S2
MOLECULAR WEIGHT: 312.4508
SMILES: CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC
Structure:

CAS RN: 132605-03-9
CAS Name: 2-[[methylamino(sulfanylidene)methyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-(methylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
IUPAC Name: ethyl 2-(methylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-(methylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
MOLECULAR FORMULA: C12H16N2O2S2
MOLECULAR WEIGHT: 284.39764
SMILES: CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NC
Structure:

CAS RN: 132605-00-6
CAS Name: (3S,4S)-3-(4-methoxyphenyl)-4-phenyl-2-piperidinone
OPENEYE Name: (3S,4S)-3-(4-methoxyphenyl)-4-phenyl-piperidin-2-one
IUPAC Name: (3S,4S)-3-(4-methoxyphenyl)-4-phenylpiperidin-2-one
SYSTEMATIC NAME: (3S,4S)-3-(4-methoxyphenyl)-4-phenyl-piperidin-2-one
MOLECULAR FORMULA: C18H19NO2
MOLECULAR WEIGHT: 281.34896
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@H](CCNC2=O)C3=CC=CC=C3
Structure:

CAS RN: 132604-99-0
CAS Name: (3S,4S)-3-(4-methylphenyl)-4-phenyl-2-piperidinone
OPENEYE Name: (3S,4S)-4-phenyl-3-(p-tolyl)piperidin-2-one
IUPAC Name: (3S,4S)-3-(4-methylphenyl)-4-phenylpiperidin-2-one
SYSTEMATIC NAME: (3S,4S)-3-(4-methylphenyl)-4-phenyl-piperidin-2-one
MOLECULAR FORMULA: C18H19NO
MOLECULAR WEIGHT: 265.34956
SMILES: CC1=CC=C(C=C1)[C@@H]2[C@H](CCNC2=O)C3=CC=CC=C3
Structure:

CAS RN: 132604-98-9
CAS Name: (3S,4S)-4-(2,4-dichlorophenyl)-3-phenyl-2-piperidinone
OPENEYE Name: (3S,4S)-4-(2,4-dichlorophenyl)-3-phenyl-piperidin-2-one
IUPAC Name: (3S,4S)-4-(2,4-dichlorophenyl)-3-phenylpiperidin-2-one
SYSTEMATIC NAME: (3S,4S)-4-(2,4-dichlorophenyl)-3-phenyl-piperidin-2-one
MOLECULAR FORMULA: C17H15Cl2NO
MOLECULAR WEIGHT: 320.2131
SMILES: C1CNC(=O)[C@@H]([C@H]1C2=C(C=C(C=C2)Cl)Cl)C3=CC=CC=C3
Structure:

CAS RN: 132604-97-8
CAS Name: (3S,4R)-3,4-diphenyl-2-piperidinone
OPENEYE Name: (3S,4R)-3,4-diphenylpiperidin-2-one
IUPAC Name: (3S,4R)-3,4-diphenylpiperidin-2-one
SYSTEMATIC NAME: (3S,4R)-3,4-diphenylpiperidin-2-one
MOLECULAR FORMULA: C17H17NO
MOLECULAR WEIGHT: 251.32298
SMILES: C1CNC(=O)[C@@H]([C@@H]1C2=CC=CC=C2)C3=CC=CC=C3
Structure:

CAS RN: 132560-21-5
CAS Name: 3-[1-methyl-3-(2-methylpropyl)-2,6-dioxo-7-purinyl]propanoic acid
OPENEYE Name: 3-(3-isobutyl-1-methyl-2,6-dioxo-purin-7-yl)propanoic acid
IUPAC Name: 3-[1-methyl-3-(2-methylpropyl)-2,6-dioxopurin-7-yl]propanoic acid
SYSTEMATIC NAME: 3-[1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-7-yl]propanoic acid
MOLECULAR FORMULA: C13H18N4O4
MOLECULAR WEIGHT: 294.30642
SMILES: CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)O
Structure:

CAS RN: 132560-20-4
CAS Name: 7-(2,3-dihydroxypropyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione
OPENEYE Name: 7-(2,3-dihydroxypropyl)-3-isobutyl-1-methyl-purine-2,6-dione
IUPAC Name: 7-(2,3-dihydroxypropyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione
SYSTEMATIC NAME: 7-[2,3-bis(oxidanyl)propyl]-1-methyl-3-(2-methylpropyl)purine-2,6-dione
MOLECULAR FORMULA: C13H20N4O4
MOLECULAR WEIGHT: 296.3223
SMILES: CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O
Structure:

CAS RN: 132560-19-1
CAS Name: 7-(1,3-dioxolan-2-ylmethyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione
OPENEYE Name: 7-(1,3-dioxolan-2-ylmethyl)-3-isobutyl-1-methyl-purine-2,6-dione
IUPAC Name: 7-(1,3-dioxolan-2-ylmethyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione
SYSTEMATIC NAME: 7-(1,3-dioxolan-2-ylmethyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione
MOLECULAR FORMULA: C14H20N4O4
MOLECULAR WEIGHT: 308.333
SMILES: CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3OCCO3
Structure:

CAS RN: 132560-18-0
CAS Name: 7-(3,3-diethoxypropyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione
OPENEYE Name: 7-(3,3-diethoxypropyl)-3-isobutyl-1-methyl-purine-2,6-dione
IUPAC Name: 7-(3,3-diethoxypropyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione
SYSTEMATIC NAME: 7-(3,3-diethoxypropyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione
MOLECULAR FORMULA: C17H28N4O4
MOLECULAR WEIGHT: 352.42862
SMILES: CCOC(CCN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)C)OCC
Structure:

CAS RN: 132560-17-9
CAS Name: 7-(dimethoxymethyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione
OPENEYE Name: 7-(dimethoxymethyl)-3-isobutyl-1-methyl-purine-2,6-dione
IUPAC Name: 7-(dimethoxymethyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione
SYSTEMATIC NAME: 7-(dimethoxymethyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione
MOLECULAR FORMULA: C13H20N4O4
MOLECULAR WEIGHT: 296.3223
SMILES: CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C(OC)OC
Structure:

CAS RN: 132560-15-7
CAS Name: 8-ethyl-1,3-bis(2-methylpropyl)-7H-purine-2,6-dione
OPENEYE Name: 8-ethyl-1,3-diisobutyl-7H-purine-2,6-dione
IUPAC Name: 8-ethyl-1,3-bis(2-methylpropyl)-7H-purine-2,6-dione
SYSTEMATIC NAME: 8-ethyl-1,3-bis(2-methylpropyl)-7H-purine-2,6-dione
MOLECULAR FORMULA: C15H24N4O2
MOLECULAR WEIGHT: 292.37666
SMILES: CCC1=NC2=C(N1)C(=O)N(C(=O)N2CC(C)C)CC(C)C
Structure:

CAS RN: 132560-14-6
CAS Name: 3-(cyclohexylmethyl)-8-ethyl-1-methyl-7H-purine-2,6-dione
OPENEYE Name: 3-(cyclohexylmethyl)-8-ethyl-1-methyl-7H-purine-2,6-dione
IUPAC Name: 3-(cyclohexylmethyl)-8-ethyl-1-methyl-7H-purine-2,6-dione
SYSTEMATIC NAME: 3-(cyclohexylmethyl)-8-ethyl-1-methyl-7H-purine-2,6-dione
MOLECULAR FORMULA: C15H22N4O2
MOLECULAR WEIGHT: 290.36078
SMILES: CCC1=NC2=C(N1)C(=O)N(C(=O)N2CC3CCCCC3)C
Structure:

CAS RN: 132560-13-5
CAS Name: 3-(cyclohexylmethyl)-1,8-dimethyl-7H-purine-2,6-dione
OPENEYE Name: 3-(cyclohexylmethyl)-1,8-dimethyl-7H-purine-2,6-dione
IUPAC Name: 3-(cyclohexylmethyl)-1,8-dimethyl-7H-purine-2,6-dione
SYSTEMATIC NAME: 3-(cyclohexylmethyl)-1,8-dimethyl-7H-purine-2,6-dione
MOLECULAR FORMULA: C14H20N4O2
MOLECULAR WEIGHT: 276.3342
SMILES: CC1=NC2=C(N1)C(=O)N(C(=O)N2CC3CCCCC3)C
Structure:

CAS RN: 132560-12-4
CAS Name: 8-ethyl-1-methyl-3-(2-phenylethyl)-7H-purine-2,6-dione
OPENEYE Name: 8-ethyl-1-methyl-3-(2-phenylethyl)-7H-purine-2,6-dione
IUPAC Name: 8-ethyl-1-methyl-3-(2-phenylethyl)-7H-purine-2,6-dione
SYSTEMATIC NAME: 8-ethyl-1-methyl-3-(2-phenylethyl)-7H-purine-2,6-dione
MOLECULAR FORMULA: C16H18N4O2
MOLECULAR WEIGHT: 298.33972
SMILES: CCC1=NC2=C(N1)C(=O)N(C(=O)N2CCC3=CC=CC=C3)C
Structure:

CAS RN: 132560-11-3
CAS Name: 1,8-dimethyl-3-(2-phenylethyl)-7H-purine-2,6-dione
OPENEYE Name: 1,8-dimethyl-3-(2-phenylethyl)-7H-purine-2,6-dione
IUPAC Name: 1,8-dimethyl-3-(2-phenylethyl)-7H-purine-2,6-dione
SYSTEMATIC NAME: 1,8-dimethyl-3-(2-phenylethyl)-7H-purine-2,6-dione
MOLECULAR FORMULA: C15H16N4O2
MOLECULAR WEIGHT: 284.31314
SMILES: CC1=NC2=C(N1)C(=O)N(C(=O)N2CCC3=CC=CC=C3)C
Structure:

CAS RN: 132560-10-2
CAS Name: 1-methyl-3,8-bis(2-methylpropyl)-7H-purine-2,6-dione
OPENEYE Name: 3,8-diisobutyl-1-methyl-7H-purine-2,6-dione
IUPAC Name: 1-methyl-3,8-bis(2-methylpropyl)-7H-purine-2,6-dione
SYSTEMATIC NAME: 1-methyl-3,8-bis(2-methylpropyl)-7H-purine-2,6-dione
MOLECULAR FORMULA: C14H22N4O2
MOLECULAR WEIGHT: 278.35008
SMILES: CC(C)CC1=NC2=C(N1)C(=O)N(C(=O)N2CC(C)C)C
Structure:

CAS RN: 132560-09-9
CAS Name: 8-butyl-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
OPENEYE Name: 8-butyl-3-isobutyl-1-methyl-7H-purine-2,6-dione
IUPAC Name: 8-butyl-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
SYSTEMATIC NAME: 8-butyl-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
MOLECULAR FORMULA: C14H22N4O2
MOLECULAR WEIGHT: 278.35008
SMILES: CCCCC1=NC2=C(N1)C(=O)N(C(=O)N2CC(C)C)C
Structure:

CAS RN: 132560-08-8
CAS Name: 1-methyl-3-(2-methylpropyl)-8-propyl-7H-purine-2,6-dione
OPENEYE Name: 3-isobutyl-1-methyl-8-propyl-7H-purine-2,6-dione
IUPAC Name: 1-methyl-3-(2-methylpropyl)-8-propyl-7H-purine-2,6-dione
SYSTEMATIC NAME: 1-methyl-3-(2-methylpropyl)-8-propyl-7H-purine-2,6-dione
MOLECULAR FORMULA: C13H20N4O2
MOLECULAR WEIGHT: 264.3235
SMILES: CCCC1=NC2=C(N1)C(=O)N(C(=O)N2CC(C)C)C
Structure:

CAS RN: 132560-07-7
CAS Name: 8-ethyl-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
OPENEYE Name: 8-ethyl-3-isobutyl-1-methyl-7H-purine-2,6-dione
IUPAC Name: 8-ethyl-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
SYSTEMATIC NAME: 8-ethyl-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
MOLECULAR FORMULA: C12H18N4O2
MOLECULAR WEIGHT: 250.29692
SMILES: CCC1=NC2=C(N1)C(=O)N(C(=O)N2CC(C)C)C
Structure:

CAS RN: 132560-06-6
CAS Name: 1-methyl-3-(2-phenylethyl)-7H-purine-2,6-dione
OPENEYE Name: 1-methyl-3-(2-phenylethyl)-7H-purine-2,6-dione
IUPAC Name: 1-methyl-3-(2-phenylethyl)-7H-purine-2,6-dione
SYSTEMATIC NAME: 1-methyl-3-(2-phenylethyl)-7H-purine-2,6-dione
MOLECULAR FORMULA: C14H14N4O2
MOLECULAR WEIGHT: 270.28656
SMILES: CN1C(=O)C2=C(N=CN2)N(C1=O)CCC3=CC=CC=C3
Structure:

CAS RN: 132560-04-4
CAS Name: 3-(2,2-dimethylpropyl)-1-methyl-7H-purine-2,6-dione
OPENEYE Name: 3-(2,2-dimethylpropyl)-1-methyl-7H-purine-2,6-dione
IUPAC Name: 3-(2,2-dimethylpropyl)-1-methyl-7H-purine-2,6-dione
SYSTEMATIC NAME: 3-(2,2-dimethylpropyl)-1-methyl-7H-purine-2,6-dione
MOLECULAR FORMULA: C11H16N4O2
MOLECULAR WEIGHT: 236.27034
SMILES: CC(C)(C)CN1C2=C(C(=O)N(C1=O)C)NC=N2
Structure:

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