CAS RN: 244-69-9
CAS Name: 5H-pyrido[4,3-b]indole
OPENEYE Name: 5H-pyrido[4,3-b]indole
IUPAC Name: 5H-pyrido[4,3-b]indole
SYSTEMATIC NAME: 5H-pyrido[4,3-b]indole
MOLECULAR FORMULA: C11H8N2
MOLECULAR WEIGHT: 168.19462
SMILES: C1=CC=C2C(=C1)C3=C(N2)C=CN=C3
Structure:
CAS RN: 219-08-9
CAS Name: 17H-cyclopenta[a]phenanthrene
OPENEYE Name: 17H-cyclopenta[a]phenanthrene
IUPAC Name: 17H-cyclopenta[a]phenanthrene
SYSTEMATIC NAME: 17H-cyclopenta[a]phenanthrene
MOLECULAR FORMULA: C17H12
MOLECULAR WEIGHT: 216.27718
SMILES: C1C=CC2=C1C=CC3=C2C=CC4=CC=CC=C43
Structure:
CAS RN: 80455-52-3
CAS Name: 17H-cyclopenta[a]phenanthrene
OPENEYE Name: 17H-cyclopenta[a]phenanthrene
IUPAC Name: 17H-cyclopenta[a]phenanthrene
SYSTEMATIC NAME: 17H-cyclopenta[a]phenanthrene
MOLECULAR FORMULA: C17H12
MOLECULAR WEIGHT: 216.27718
SMILES: C1C=CC2=C1C=CC3=C2C=CC4=CC=CC=C43
Structure:
CAS RN: 4958-66-1
CAS Name: (2S)-5-amino-N-(3-amino-3-iminopropyl)-3,4-dihydro-2H-pyrrole-2-carboxamide
OPENEYE Name: (2S)-5-amino-N-(3-amino-3-imino-propyl)-3,4-dihydro-2H-pyrrole-2-carboxamide
IUPAC Name: (2S)-5-amino-N-(3-amino-3-iminopropyl)-3,4-dihydro-2H-pyrrole-2-carboxamide
SYSTEMATIC NAME: (2S)-5-azanyl-N-(3-azanyl-3-azanylidene-propyl)-3,4-dihydro-2H-pyrrole-2-carboxamide
MOLECULAR FORMULA: C8H15N5O
MOLECULAR WEIGHT: 197.2376
SMILES: C1CC(=N[C@@H]1C(=O)NCCC(=N)N)N
Structure:
CAS RN: 155-38-4
CAS Name: (2S)-5-amino-N-(3-amino-3-iminopropyl)-3,4-dihydro-2H-pyrrole-2-carboxamide
OPENEYE Name: (2S)-5-amino-N-(3-amino-3-imino-propyl)-3,4-dihydro-2H-pyrrole-2-carboxamide
IUPAC Name: (2S)-5-amino-N-(3-amino-3-iminopropyl)-3,4-dihydro-2H-pyrrole-2-carboxamide
SYSTEMATIC NAME: (2S)-5-azanyl-N-(3-azanyl-3-azanylidene-propyl)-3,4-dihydro-2H-pyrrole-2-carboxamide
MOLECULAR FORMULA: C8H15N5O
MOLECULAR WEIGHT: 197.2376
SMILES: C1CC(=N[C@@H]1C(=O)NCCC(=N)N)N
Structure:
CAS RN: 138-55-6
CAS Name: (4R)-2,6,6-trimethyl-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-cyclohexenecarboxaldehyde
OPENEYE Name: (4R)-2,6,6-trimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-cyclohexene-1-carbaldehyde
IUPAC Name: (4R)-2,6,6-trimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexene-1-carbaldehyde
SYSTEMATIC NAME: (4R)-4-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,6,6-trimethyl-cyclohexene-1-carbaldehyde
MOLECULAR FORMULA: C16H26O7
MOLECULAR WEIGHT: 330.37344
SMILES: CC1=C(C(C[C@@H](C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)(C)C)C=O
Structure:
CAS RN: 115747-35-8
CAS Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-8-[(3-methyl-2-imidazo[4,5-f]quinolinyl)amino]-3H-purin-6-one
OPENEYE Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8-[(3-methylimidazo[4,5-f]quinolin-2-yl)amino]-3H-purin-6-one
IUPAC Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-[(3-methylimidazo[4,5-f]quinolin-2-yl)amino]-3H-purin-6-one
SYSTEMATIC NAME: 2-azanyl-9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-8-[(3-methylimidazo[4,5-f]quinolin-2-yl)amino]-3H-purin-6-one
MOLECULAR FORMULA: C21H21N9O4
MOLECULAR WEIGHT: 463.44934
SMILES: CN1C2=C(C3=C(C=C2)N=CC=C3)N=C1NC4=NC5=C(N4[C@H]6C[C@@H]([C@H](O6)CO)O)NC(=NC5=O)N
Structure:
CAS RN: 115722-29-7
CAS Name: (2S)-2-[[[4-[(2-amino-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: (2S)-2-[[4-[(2-amino-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid
IUPAC Name: (2S)-2-[[4-[(2-amino-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[4-[(2-azanyl-4-oxidanylidene-1H-pyrido[2,3-d]pyrimidin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C23H22N6O6
MOLECULAR WEIGHT: 478.45738
SMILES: C#CCN(CC1=CN=C2C(=C1)C(=O)N=C(N2)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
Structure:
CAS RN: 115689-52-6
CAS Name: 4,5-dihydrothiazolo[4,5-f]quinolin-2-amine
OPENEYE Name: 4,5-dihydrothiazolo[4,5-f]quinolin-2-amine
IUPAC Name: 4,5-dihydro-[1,3]thiazolo[4,5-f]quinolin-2-amine
SYSTEMATIC NAME: 4,5-dihydro-[1,3]thiazolo[4,5-f]quinolin-2-amine
MOLECULAR FORMULA: C10H9N3S
MOLECULAR WEIGHT: 203.26356
SMILES: C1CC2=C(C3=C1N=CC=C3)N=C(S2)N
Structure:
CAS RN: 115688-97-6
CAS Name: 6-methyl-5,5a,7,8-tetrahydro-4H-thiazolo[4,5-f]quinolin-2-amine
OPENEYE Name: 6-methyl-5,5a,7,8-tetrahydro-4H-thiazolo[4,5-f]quinolin-2-amine
IUPAC Name: 6-methyl-5,5a,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-f]quinolin-2-amine
SYSTEMATIC NAME: 6-methyl-5,5a,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-f]quinolin-2-amine
MOLECULAR FORMULA: C11H15N3S
MOLECULAR WEIGHT: 221.3219
SMILES: CN1CCC=C2C1CCC3=C2N=C(S3)N
Structure:
CAS RN: 153260-23-2
CAS Name: 6-methyl-5,5a,7,8-tetrahydro-4H-thiazolo[4,5-f]quinolin-2-amine
OPENEYE Name: 6-methyl-5,5a,7,8-tetrahydro-4H-thiazolo[4,5-f]quinolin-2-amine
IUPAC Name: 6-methyl-5,5a,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-f]quinolin-2-amine
SYSTEMATIC NAME: 6-methyl-5,5a,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-f]quinolin-2-amine
MOLECULAR FORMULA: C11H15N3S
MOLECULAR WEIGHT: 221.3219
SMILES: CN1CCC=C2C1CCC3=C2N=C(S3)N
Structure:
CAS RN: 115678-78-9
CAS Name: [(2R,3S,4R,5R)-5-[6-amino-8-[(4-bromo-2,3-dioxobutyl)thio]-9-purinyl]-3,4-dihydroxy-2-oxolanyl]methyl phosphono hydrogen phosphate
OPENEYE Name: [(2R,3S,4R,5R)-5-[6-amino-8-(4-bromo-2,3-dioxo-butyl)sulfanyl-purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
IUPAC Name: [(2R,3S,4R,5R)-5-[6-amino-8-(4-bromo-2,3-dioxobutyl)sulfanylpurin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-5-[6-azanyl-8-[4-bromanyl-2,3-bis(oxidanylidene)butyl]sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate
MOLECULAR FORMULA: C14H18BrN5O12P2S
MOLECULAR WEIGHT: 622.235542
SMILES: C1=NC2=C(C(=N1)N)N=C(N2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)SCC(=O)C(=O)CBr
Structure:
CAS RN: 115621-95-9
CAS Name: 5-[4-(1-piperidinyl)phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline dihydrochloride
OPENEYE Name: 5-[4-(1-piperidyl)phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline dihydrochloride
IUPAC Name: 5-(4-piperidin-1-ylphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline dihydrochloride
SYSTEMATIC NAME: 5-(4-piperidin-1-ylphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline dihydrochloride
MOLECULAR FORMULA: C22H25Cl2N3
MOLECULAR WEIGHT: 402.36
SMILES: C1CCN(CC1)C2=CC=C(C=C2)C3=CC4=CC=CC=C4C5=NCCN35.Cl.Cl
Structure:
CAS RN: 115616-51-8
CAS Name: 3-(2-pyridinyldisulfanyl)propanehydrazide
OPENEYE Name: 3-(2-pyridyldisulfanyl)propanehydrazide
IUPAC Name: 3-(pyridin-2-yldisulfanyl)propanehydrazide
SYSTEMATIC NAME: 3-(pyridin-2-yldisulfanyl)propanehydrazide
MOLECULAR FORMULA: C8H11N3OS2
MOLECULAR WEIGHT: 229.32244
SMILES: C1=CC=NC(=C1)SSCCC(=O)NN
Structure:
CAS RN: 115587-73-0
CAS Name: (2S)-2-[[[4-[[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl]methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: (2S)-2-[[4-[[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl]methylamino]benzoyl]amino]pentanedioic acid
IUPAC Name: (2S)-2-[[4-[[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl]methylamino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[4-[[(6R)-2-azanyl-4-oxidanylidene-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C20H24N6O6
MOLECULAR WEIGHT: 444.44116
SMILES: C1[C@@H](CNC2=C1C(=O)N=C(N2)N)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
Structure:
CAS RN: 115494-53-6
CAS Name: 4-amino-1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyl-2-oxolanyl]-2-pyrimidinone
OPENEYE Name: 4-amino-1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl]pyrimidin-2-one
IUPAC Name: 4-amino-1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
SYSTEMATIC NAME: 4-azanyl-1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3-methyl-4-oxidanyl-oxolan-2-yl]pyrimidin-2-one
MOLECULAR FORMULA: C10H15N3O4
MOLECULAR WEIGHT: 241.2438
SMILES: C[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O
Structure:
CAS RN: 115491-60-6
CAS Name: 7-chloro-4-nitrobenzofuran
OPENEYE Name: 7-chloro-4-nitro-benzofuran
IUPAC Name: 7-chloro-4-nitro-1-benzofuran
SYSTEMATIC NAME: 7-chloranyl-4-nitro-1-benzofuran
MOLECULAR FORMULA: C8H4ClNO3
MOLECULAR WEIGHT: 197.57526
SMILES: C1=CC(=C2C(=C1[N+](=O)[O-])C=CO2)Cl
Structure:
CAS RN: 115481-73-7
CAS Name: 2-[bis(4-hydroxyphenyl)methyl]benzenesulfonic acid phenyl ester
OPENEYE Name: phenyl 2-[bis(4-hydroxyphenyl)methyl]benzenesulfonate
IUPAC Name: phenyl 2-[bis(4-hydroxyphenyl)methyl]benzenesulfonate
SYSTEMATIC NAME: phenyl 2-[bis(4-hydroxyphenyl)methyl]benzenesulfonate
MOLECULAR FORMULA: C25H20O5S
MOLECULAR WEIGHT: 432.4883
SMILES: C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2C(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O
Structure:
CAS RN: 115453-82-2
CAS Name: 7-ethoxy-4-(trifluoromethyl)-1-benzopyran-2-one
OPENEYE Name: 7-ethoxy-4-(trifluoromethyl)chromen-2-one
IUPAC Name: 7-ethoxy-4-(trifluoromethyl)chromen-2-one
SYSTEMATIC NAME: 7-ethoxy-4-(trifluoromethyl)chromen-2-one
MOLECULAR FORMULA: C12H9F3O3
MOLECULAR WEIGHT: 258.19327
SMILES: CCOC1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F
Structure:
CAS RN: 115288-31-8
CAS Name: (8S,9S,10S,11S,13R,14S,17S)-11-hydroxy-10,13-bis(hydroxymethyl)-17-(2-hydroxy-1-oxoethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (8S,9S,10S,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-bis(hydroxymethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (8S,9S,10S,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-bis(hydroxymethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,9S,10S,11S,13R,14S,17S)-10,13-bis(hydroxymethyl)-11-oxidanyl-17-(2-oxidanylethanoyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H30O6
MOLECULAR WEIGHT: 378.4593
SMILES: C1C[C@@H]([C@@]2([C@@H]1[C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3[C@H](C2)O)CO)CO)C(=O)CO
Structure:
CAS RN: 115227-95-7
CAS Name: acetic acid [9H-fluoren-2-yl-(2-hydroxy-1-oxoethyl)amino] ester
OPENEYE Name: [9H-fluoren-2-yl-(2-hydroxyacetyl)amino] acetate
IUPAC Name: [9H-fluoren-2-yl-(2-hydroxyacetyl)amino] acetate
SYSTEMATIC NAME: [9H-fluoren-2-yl(2-oxidanylethanoyl)amino] ethanoate
MOLECULAR FORMULA: C17H15NO4
MOLECULAR WEIGHT: 297.3053
SMILES: CC(=O)ON(C1=CC2=C(C=C1)C3=CC=CC=C3C2)C(=O)CO
Structure:
CAS RN: 115173-45-0
CAS Name: 3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-hydroxy-4,5,6,7-tetrahydroimidazo[4,5-e][1,4]diazepin-8-one
OPENEYE Name: 3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-hydroxy-4,5,6,7-tetrahydroimidazo[4,5-e][1,4]diazepin-8-one
IUPAC Name: 3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-hydroxy-4,5,6,7-tetrahydroimidazo[4,5-e][1,4]diazepin-8-one
SYSTEMATIC NAME: 3-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-oxidanyl-4,5,6,7-tetrahydroimidazo[4,5-e][1,4]diazepin-8-one
MOLECULAR FORMULA: C11H16N4O6
MOLECULAR WEIGHT: 300.26794
SMILES: C1C(NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O
Structure:
CAS RN: 115141-47-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H20N4S
MOLECULAR WEIGHT: 360.4753
SMILES: CN1C=CC2=C3C1=C4C(=C(C3=NC5=CC=CC=C25)CCN(C)C)N=CS4
Structure:
CAS RN: 115109-65-4
CAS Name: 5-[4-[[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]methyl]-3,5-dimethoxyphenoxy]pentanoic acid
OPENEYE Name: 5-[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3,5-dimethoxy-phenoxy]pentanoic acid
IUPAC Name: 5-[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3,5-dimethoxyphenoxy]pentanoic acid
SYSTEMATIC NAME: 5-[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3,5-dimethoxy-phenoxy]pentanoic acid
MOLECULAR FORMULA: C29H31NO7
MOLECULAR WEIGHT: 505.55894
SMILES: COC1=CC(=CC(=C1CNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)OC)OCCCCC(=O)O
Structure:
CAS RN: 115062-49-2
CAS Name: 4-(1-aminobut-3-yn-2-yl)phenol
OPENEYE Name: 4-[1-(aminomethyl)prop-2-ynyl]phenol
IUPAC Name: 4-(1-aminobut-3-yn-2-yl)phenol
SYSTEMATIC NAME: 4-(1-azanylbut-3-yn-2-yl)phenol
MOLECULAR FORMULA: C10H11NO
MOLECULAR WEIGHT: 161.20044
SMILES: C#CC(CN)C1=CC=C(C=C1)O
Structure:
CAS RN: 115044-37-6
CAS Name: 4-[3-(4-carbamimidoylphenoxy)-2-[(4-carbamimidoylphenoxy)methyl]pentoxy]benzenecarboximidamide
OPENEYE Name: 4-[3-(4-carbamimidoylphenoxy)-2-[(4-carbamimidoylphenoxy)methyl]pentoxy]benzamidine
IUPAC Name: 4-[3-(4-carbamimidoylphenoxy)-2-[(4-carbamimidoylphenoxy)methyl]pentoxy]benzenecarboximidamide
SYSTEMATIC NAME: 4-[3-(4-carbamimidoylphenoxy)-2-[(4-carbamimidoylphenoxy)methyl]pentoxy]benzenecarboximidamide
MOLECULAR FORMULA: C27H32N6O3
MOLECULAR WEIGHT: 488.58138
SMILES: CCC(C(COC1=CC=C(C=C1)C(=N)N)COC2=CC=C(C=C2)C(=N)N)OC3=CC=C(C=C3)C(=N)N
Structure:
CAS RN: 115029-30-6
CAS Name: 5-[2-(dimethylamino)ethoxy]-9-hydroxy-7-benzo[c]fluorenone
OPENEYE Name: 5-[2-(dimethylamino)ethoxy]-9-hydroxy-benzo[c]fluoren-7-one
IUPAC Name: 5-[2-(dimethylamino)ethoxy]-9-hydroxybenzo[c]fluoren-7-one
SYSTEMATIC NAME: 5-[2-(dimethylamino)ethoxy]-9-oxidanyl-benzo[c]fluoren-7-one
MOLECULAR FORMULA: C21H19NO3
MOLECULAR WEIGHT: 333.38046
SMILES: CN(C)CCOC1=CC2=C(C3=C(C2=O)C=C(C=C3)O)C4=CC=CC=C41
Structure:
CAS RN: 114932-60-4
CAS Name: 4-(1-pyrenyl)butanoic acid (2,5-dioxo-1-pyrrolidinyl) ester
OPENEYE Name: (2,5-dioxopyrrolidin-1-yl) 4-pyren-1-ylbutanoate
IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 4-pyren-1-ylbutanoate
SYSTEMATIC NAME: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] 4-pyren-1-ylbutanoate
MOLECULAR FORMULA: C24H19NO4
MOLECULAR WEIGHT: 385.41196
SMILES: C1CC(=O)N(C1=O)OC(=O)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2
Structure:
CAS RN: 114884-15-0
CAS Name: 1-[(1R,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
OPENEYE Name: 1-[(1R,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-methyl-pyrimidine-2,4-dione
IUPAC Name: 1-[(1R,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(1R,3S,4R)-3-(hydroxymethyl)-4-oxidanyl-cyclopentyl]-5-methyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C11H16N2O4
MOLECULAR WEIGHT: 240.25574
SMILES: CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](C2)O)CO
Structure:
CAS RN: 114865-68-8
CAS Name: 3-(4-hydroxy-3-iodophenyl)-N-[3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]propyl]propanamide
OPENEYE Name: 3-(4-hydroxy-3-iodo-phenyl)-N-[3-[(8-methoxytetralin-2-yl)-propyl-amino]propyl]propanamide
IUPAC Name: 3-(4-hydroxy-3-iodophenyl)-N-[3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]propyl]propanamide
SYSTEMATIC NAME: 3-(3-iodanyl-4-oxidanyl-phenyl)-N-[3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propyl-amino]propyl]propanamide
MOLECULAR FORMULA: C26H35IN2O3
MOLECULAR WEIGHT: 550.47217
SMILES: CCCN(CCCNC(=O)CCC1=CC(=C(C=C1)O)I)C2CCC3=C(C2)C(=CC=C3)OC
Structure:
CAS RN: 114832-72-3
CAS Name: 2-oxo-1,3-diazinane-4,6-dicarboxylic acid
OPENEYE Name: 2-oxohexahydropyrimidine-4,6-dicarboxylic acid
IUPAC Name: 2-oxo-1,3-diazinane-4,6-dicarboxylic acid
SYSTEMATIC NAME: 2-oxidanylidene-1,3-diazinane-4,6-dicarboxylic acid
MOLECULAR FORMULA: C6H8N2O5
MOLECULAR WEIGHT: 188.13812
SMILES: C1C(NC(=O)NC1C(=O)O)C(=O)O
Structure:
CAS RN: 114811-46-0
CAS Name: 2-amino-2-(4-iodophenyl)acetic acid
OPENEYE Name: 2-amino-2-(4-iodophenyl)acetic acid
IUPAC Name: 2-amino-2-(4-iodophenyl)acetic acid
SYSTEMATIC NAME: 2-azanyl-2-(4-iodophenyl)ethanoic acid
MOLECULAR FORMULA: C8H8INO2
MOLECULAR WEIGHT: 277.05909
SMILES: C1=CC(=CC=C1C(C(=O)O)N)I
Structure:
CAS RN: 114798-27-5
CAS Name: 2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)-1-imidazolyl]methyl]phenyl]benzoic acid
OPENEYE Name: 2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid
IUPAC Name: 2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid
SYSTEMATIC NAME: 2-[4-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid
MOLECULAR FORMULA: C22H23ClN2O3
MOLECULAR WEIGHT: 398.88262
SMILES: CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CO)Cl
Structure:
CAS RN: 114785-18-1
CAS Name: 4-[(4-methoxy-3-methylphenyl)methyl]-5-(1-oxo-2,2-diphenylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
OPENEYE Name: 5-(2,2-diphenylacetyl)-4-[(4-methoxy-3-methyl-phenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
IUPAC Name: 5-(2,2-diphenylacetyl)-4-[(4-methoxy-3-methylphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SYSTEMATIC NAME: 5-(2,2-diphenylethanoyl)-4-[(4-methoxy-3-methyl-phenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
MOLECULAR FORMULA: C30H29N3O4
MOLECULAR WEIGHT: 495.56896
SMILES: CC1=C(C=CC(=C1)CC2C3=C(CC(N2C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O)NC=N3)OC
Structure:
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