Wednesday, January 25, 2012

http://ChemLookup.com Compounds




CAS RN: 160244-09-7
CAS Name: 6-methyl-2-[4-(4-phenyl-1-piperazinyl)butyl]-4-(1-piperidinyl)pyrrolo[3,4-c]pyridine-1,3-dione
OPENEYE Name: 6-methyl-2-[4-(4-phenylpiperazin-1-yl)butyl]-4-(1-piperidyl)pyrrolo[3,4-c]pyridine-1,3-dione
IUPAC Name: 6-methyl-2-[4-(4-phenylpiperazin-1-yl)butyl]-4-piperidin-1-ylpyrrolo[3,4-c]pyridine-1,3-dione
SYSTEMATIC NAME: 6-methyl-2-[4-(4-phenylpiperazin-1-yl)butyl]-4-piperidin-1-yl-pyrrolo[3,4-c]pyridine-1,3-dione
MOLECULAR FORMULA: C27H35N5O2
MOLECULAR WEIGHT: 461.5991
SMILES: CC1=NC(=C2C(=C1)C(=O)N(C2=O)CCCCN3CCN(CC3)C4=CC=CC=C4)N5CCCCC5
Structure:

CAS RN: 160244-08-6
CAS Name: 6-methyl-4-(1-piperidinyl)-2-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]pyrrolo[3,4-c]pyridine-1,3-dione
OPENEYE Name: 6-methyl-4-(1-piperidyl)-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolo[3,4-c]pyridine-1,3-dione
IUPAC Name: 6-methyl-4-piperidin-1-yl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolo[3,4-c]pyridine-1,3-dione
SYSTEMATIC NAME: 6-methyl-4-piperidin-1-yl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolo[3,4-c]pyridine-1,3-dione
MOLECULAR FORMULA: C24H31N7O2
MOLECULAR WEIGHT: 449.54864
SMILES: CC1=NC(=C2C(=C1)C(=O)N(C2=O)CCCN3CCN(CC3)C4=NC=CC=N4)N5CCCCC5
Structure:

CAS RN: 160092-87-5
CAS Name: 2-[[(4-ethoxycarbonylanilino)-(3-pyridinyl)methyl]thio]acetic acid
OPENEYE Name: 2-[(4-ethoxycarbonylanilino)-(3-pyridyl)methyl]sulfanylacetic acid
IUPAC Name: 2-[(4-ethoxycarbonylanilino)-pyridin-3-ylmethyl]sulfanylacetic acid
SYSTEMATIC NAME: 2-[[(4-ethoxycarbonylphenyl)amino]-pyridin-3-yl-methyl]sulfanylethanoic acid
MOLECULAR FORMULA: C17H18N2O4S
MOLECULAR WEIGHT: 346.40082
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(C2=CN=CC=C2)SCC(=O)O
Structure:

CAS RN: 182228-02-0
CAS Name: 2-[[(4-ethoxycarbonylanilino)-(3-pyridinyl)methyl]thio]acetic acid
OPENEYE Name: 2-[(4-ethoxycarbonylanilino)-(3-pyridyl)methyl]sulfanylacetic acid
IUPAC Name: 2-[(4-ethoxycarbonylanilino)-pyridin-3-ylmethyl]sulfanylacetic acid
SYSTEMATIC NAME: 2-[[(4-ethoxycarbonylphenyl)amino]-pyridin-3-yl-methyl]sulfanylethanoic acid
MOLECULAR FORMULA: C17H18N2O4S
MOLECULAR WEIGHT: 346.40082
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(C2=CN=CC=C2)SCC(=O)O
Structure:

CAS RN: 160092-85-3
CAS Name: [(4-ethoxycarbonylanilino)-(3-pyridinyl)methyl]phosphonic acid
OPENEYE Name: [(4-ethoxycarbonylanilino)-(3-pyridyl)methyl]phosphonic acid
IUPAC Name: [(4-ethoxycarbonylanilino)-pyridin-3-ylmethyl]phosphonic acid
SYSTEMATIC NAME: [[(4-ethoxycarbonylphenyl)amino]-pyridin-3-yl-methyl]phosphonic acid
MOLECULAR FORMULA: C15H17N2O5P
MOLECULAR WEIGHT: 336.279641
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(C2=CN=CC=C2)P(=O)(O)O
Structure:

CAS RN: 182228-01-9
CAS Name: [(4-ethoxycarbonylanilino)-(3-pyridinyl)methyl]phosphonic acid
OPENEYE Name: [(4-ethoxycarbonylanilino)-(3-pyridyl)methyl]phosphonic acid
IUPAC Name: [(4-ethoxycarbonylanilino)-pyridin-3-ylmethyl]phosphonic acid
SYSTEMATIC NAME: [[(4-ethoxycarbonylphenyl)amino]-pyridin-3-yl-methyl]phosphonic acid
MOLECULAR FORMULA: C15H17N2O5P
MOLECULAR WEIGHT: 336.279641
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(C2=CN=CC=C2)P(=O)(O)O
Structure:

CAS RN: 160092-82-0
CAS Name: 4-[[diethoxyphosphoryl(3-pyridinyl)methyl]amino]benzoic acid ethyl ester
OPENEYE Name: ethyl 4-[[diethoxyphosphoryl(3-pyridyl)methyl]amino]benzoate
IUPAC Name: ethyl 4-[[diethoxyphosphoryl(pyridin-3-yl)methyl]amino]benzoate
SYSTEMATIC NAME: ethyl 4-[[diethoxyphosphoryl(pyridin-3-yl)methyl]amino]benzoate
MOLECULAR FORMULA: C19H25N2O5P
MOLECULAR WEIGHT: 392.385961
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(C2=CN=CC=C2)P(=O)(OCC)OCC
Structure:

CAS RN: 182228-03-1
CAS Name: 4-[[diethoxyphosphoryl(3-pyridinyl)methyl]amino]benzoic acid ethyl ester
OPENEYE Name: ethyl 4-[[diethoxyphosphoryl(3-pyridyl)methyl]amino]benzoate
IUPAC Name: ethyl 4-[[diethoxyphosphoryl(pyridin-3-yl)methyl]amino]benzoate
SYSTEMATIC NAME: ethyl 4-[[diethoxyphosphoryl(pyridin-3-yl)methyl]amino]benzoate
MOLECULAR FORMULA: C19H25N2O5P
MOLECULAR WEIGHT: 392.385961
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(C2=CN=CC=C2)P(=O)(OCC)OCC
Structure:

CAS RN: 160092-81-9
CAS Name: 4-[[dimethoxyphosphoryl(3-pyridinyl)methyl]amino]benzoic acid ethyl ester
OPENEYE Name: ethyl 4-[[dimethoxyphosphoryl(3-pyridyl)methyl]amino]benzoate
IUPAC Name: ethyl 4-[[dimethoxyphosphoryl(pyridin-3-yl)methyl]amino]benzoate
SYSTEMATIC NAME: ethyl 4-[[dimethoxyphosphoryl(pyridin-3-yl)methyl]amino]benzoate
MOLECULAR FORMULA: C17H21N2O5P
MOLECULAR WEIGHT: 364.332801
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(C2=CN=CC=C2)P(=O)(OC)OC
Structure:

CAS RN: 160065-76-9
CAS Name: N-[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxy-1-oxoethyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-4-oxanyl]carbamic acid [3-nitro-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]
OPENEYE Name: [3-nitro-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]methyl N-[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]tetrahydropy
IUPAC Name: [3-nitro-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl N-[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]carbamate
SYSTEMATIC NAME: [4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-nitro-phenyl]methyl N-[(2S,3S,4S,6R)-6-[[(1S,3S)-10-methoxy-3,5,12-tris(oxidanyl)-3-(2-oxidanylethanoyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidan
MOLECULAR FORMULA: C41H44N2O21
MOLECULAR WEIGHT: 900.78886
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)NC(=O)OCC6=CC(=C(C=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)[N+](=O)[O-])O
Structure:

CAS RN: 160031-35-6
CAS Name: 1-[4-[4-(3-chlorophenyl)-1-piperazinyl]butyl]-7-methyl-2,4-dioxo-3-phenyl-5-pyrido[2,3-d]pyrimidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-7-methyl-2,4-dioxo-3-phenyl-pyrido[2,3-d]pyrimidine-5-carboxylate
IUPAC Name: ethyl 1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-7-methyl-2,4-dioxo-3-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
SYSTEMATIC NAME: ethyl 1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-7-methyl-2,4-bis(oxidanylidene)-3-phenyl-pyrido[2,3-d]pyrimidine-5-carboxylate
MOLECULAR FORMULA: C31H34ClN5O4
MOLECULAR WEIGHT: 576.08576
SMILES: CCOC(=O)C1=CC(=NC2=C1C(=O)N(C(=O)N2CCCCN3CCN(CC3)C4=CC(=CC=C4)Cl)C5=CC=CC=C5)C
Structure:

CAS RN: 159978-02-6
CAS Name: 4-[2-[[2-(9H-fluoren-9-yl)-1-oxoethyl]amino]ethyl]benzoic acid 2-[[2-methoxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl ester
OPENEYE Name: 2-[[2-methoxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl 4-[2-[[2-(9H-fluoren-9-yl)acetyl]amino]ethyl]benzoate
IUPAC Name: 2-[[2-methoxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl 4-[2-[[2-(9H-fluoren-9-yl)acetyl]amino]ethyl]benzoate
SYSTEMATIC NAME: 2-[[2-methoxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl 4-[2-[2-(9H-fluoren-9-yl)ethanoylamino]ethyl]benzoate
MOLECULAR FORMULA: C36H35F3N2O4
MOLECULAR WEIGHT: 616.66931
SMILES: COC(CNCCOC(=O)C1=CC=C(C=C1)CCNC(=O)CC2C3=CC=CC=C3C4=CC=CC=C24)C5=CC(=CC=C5)C(F)(F)F
Structure:

CAS RN: 159929-77-8
CAS Name: 3-[6-(2,4-dichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-1-benzopyran-2-one
OPENEYE Name: 3-[6-(2,4-dichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]chromen-2-one
IUPAC Name: 3-[6-(2,4-dichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]chromen-2-one
SYSTEMATIC NAME: 3-[6-(2,4-dichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]chromen-2-one
MOLECULAR FORMULA: C19H10Cl2N4O2S
MOLECULAR WEIGHT: 429.2793
SMILES: C1C(=NN2C(=NN=C2S1)C3=CC4=CC=CC=C4OC3=O)C5=C(C=C(C=C5)Cl)Cl
Structure:

CAS RN: 159929-74-5
CAS Name: 3-[6-(4-methoxyanilino)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-1-benzopyran-2-one
OPENEYE Name: 3-[6-(4-methoxyanilino)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]chromen-2-one
IUPAC Name: 3-[6-(4-methoxyanilino)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]chromen-2-one
SYSTEMATIC NAME: 3-[6-[(4-methoxyphenyl)amino]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]chromen-2-one
MOLECULAR FORMULA: C19H13N5O3S
MOLECULAR WEIGHT: 391.40322
SMILES: COC1=CC=C(C=C1)NC2=NN3C(=NN=C3S2)C4=CC5=CC=CC=C5OC4=O
Structure:

CAS RN: 159872-81-8
CAS Name: 1-(1-piperazinyl)-3-[4-(2,4,7-triamino-6-pteridinyl)phenoxy]-2-propanol
OPENEYE Name: 1-piperazin-1-yl-3-[4-(2,4,7-triaminopteridin-6-yl)phenoxy]propan-2-ol
IUPAC Name: 1-piperazin-1-yl-3-[4-(2,4,7-triaminopteridin-6-yl)phenoxy]propan-2-ol
SYSTEMATIC NAME: 1-piperazin-1-yl-3-[4-[2,4,7-tris(azanyl)pteridin-6-yl]phenoxy]propan-2-ol
MOLECULAR FORMULA: C19H25N9O2
MOLECULAR WEIGHT: 411.4609
SMILES: C1CN(CCN1)CC(COC2=CC=C(C=C2)C3=NC4=C(N=C3N)N=C(N=C4N)N)O
Structure:

CAS RN: 159872-65-8
CAS Name: 1-[4-(2,6-diamino-4-pyrimidinyl)-1-piperazinyl]-2-(2-naphthalenyloxy)ethanone
OPENEYE Name: 1-[4-(2,6-diaminopyrimidin-4-yl)piperazin-1-yl]-2-(2-naphthyloxy)ethanone
IUPAC Name: 1-[4-(2,6-diaminopyrimidin-4-yl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone
SYSTEMATIC NAME: 1-[4-[2,6-bis(azanyl)pyrimidin-4-yl]piperazin-1-yl]-2-naphthalen-2-yloxy-ethanone
MOLECULAR FORMULA: C20H22N6O2
MOLECULAR WEIGHT: 378.42768
SMILES: C1CN(CCN1C2=CC(=NC(=N2)N)N)C(=O)COC3=CC4=CC=CC=C4C=C3
Structure:

CAS RN: 159872-59-0
CAS Name: 6-[3-[4-(2,6-diamino-4-pyrimidinyl)-1-piperazinyl]-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one
OPENEYE Name: 6-[3-[4-(2,6-diaminopyrimidin-4-yl)piperazin-1-yl]-2-hydroxy-propoxy]tetralin-1-one
IUPAC Name: 6-[3-[4-(2,6-diaminopyrimidin-4-yl)piperazin-1-yl]-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one
SYSTEMATIC NAME: 6-[3-[4-[2,6-bis(azanyl)pyrimidin-4-yl]piperazin-1-yl]-2-oxidanyl-propoxy]-3,4-dihydro-2H-naphthalen-1-one
MOLECULAR FORMULA: C21H28N6O3
MOLECULAR WEIGHT: 412.48542
SMILES: C1CC2=C(C=CC(=C2)OCC(CN3CCN(CC3)C4=CC(=NC(=N4)N)N)O)C(=O)C1
Structure:

CAS RN: 159872-58-9
CAS Name: 1-[4-[2,6-bis(1-pyrrolidinyl)-4-pyrimidinyl]-1,4-diazepan-1-yl]-3-(2-naphthalenyloxy)-2-propanol
OPENEYE Name: 1-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-3-(2-naphthyloxy)propan-2-ol
IUPAC Name: 1-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-3-naphthalen-2-yloxypropan-2-ol
SYSTEMATIC NAME: 1-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-3-naphthalen-2-yloxy-propan-2-ol
MOLECULAR FORMULA: C30H40N6O2
MOLECULAR WEIGHT: 516.6776
SMILES: C1CCN(C1)C2=CC(=NC(=N2)N3CCCC3)N4CCCN(CC4)CC(COC5=CC6=CC=CC=C6C=C5)O
Structure:

CAS RN: 159872-41-0
CAS Name: 2,4-bis(1-pyrrolidinyl)-6-[4-(triphenylmethyl)-1-piperazinyl]pyrimidine
OPENEYE Name: 2,4-dipyrrolidin-1-yl-6-(4-tritylpiperazin-1-yl)pyrimidine
IUPAC Name: 2,4-dipyrrolidin-1-yl-6-(4-tritylpiperazin-1-yl)pyrimidine
SYSTEMATIC NAME: 2,4-dipyrrolidin-1-yl-6-[4-(triphenylmethyl)piperazin-1-yl]pyrimidine
MOLECULAR FORMULA: C35H40N6
MOLECULAR WEIGHT: 544.7323
SMILES: C1CCN(C1)C2=CC(=NC(=N2)N3CCCC3)N4CCN(CC4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7
Structure:

CAS RN: 159872-32-9
CAS Name: 1-[4-[2,6-bis(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]-10-undecen-1-one
OPENEYE Name: 1-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]undec-10-en-1-one
IUPAC Name: 1-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]undec-10-en-1-one
SYSTEMATIC NAME: 1-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]undec-10-en-1-one
MOLECULAR FORMULA: C27H44N6O
MOLECULAR WEIGHT: 468.67786
SMILES: C=CCCCCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2)N3CCCC3)N4CCCC4
Structure:

CAS RN: 159852-74-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H6N2O2S
MOLECULAR WEIGHT: 242.25324
SMILES: C1=CC=C2C(=C1)N3C(=O)C4=C(C=CS4)N=C3O2
Structure:

CAS RN: 159852-73-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H6N2OS2
MOLECULAR WEIGHT: 258.31884
SMILES: C1=CC=C2C(=C1)N3C(=O)C4=C(C=CS4)N=C3S2
Structure:

CAS RN: 159852-72-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H10N2O2S
MOLECULAR WEIGHT: 318.3492
SMILES: C1=CC=C(C=C1)C2=CC3=C(S2)N=C4N(C3=O)C5=CC=CC=C5O4
Structure:

CAS RN: 159852-71-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H10N2OS2
MOLECULAR WEIGHT: 334.4148
SMILES: C1=CC=C(C=C1)C2=CC3=C(S2)N=C4N(C3=O)C5=CC=CC=C5S4
Structure:

CAS RN: 159852-70-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H12N2O4S
MOLECULAR WEIGHT: 328.34248
SMILES: CCOC(=O)C1=C(C2=C(S1)N=C3N(C2=O)C4=CC=CC=C4O3)C
Structure:

CAS RN: 159852-69-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H12N2O3S2
MOLECULAR WEIGHT: 344.40808
SMILES: CCOC(=O)C1=C(C2=C(S1)N=C3N(C2=O)C4=CC=CC=C4S3)C
Structure:

CAS RN: 159852-68-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H12N2O2S
MOLECULAR WEIGHT: 296.34368
SMILES: C1CCC2=C(C1)C3=C(S2)N=C4N(C3=O)C5=CC=CC=C5O4
Structure:

CAS RN: 159852-67-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H10N2O2S
MOLECULAR WEIGHT: 270.3064
SMILES: CC1=C(SC2=C1C(=O)N3C4=CC=CC=C4OC3=N2)C
Structure:

CAS RN: 159852-66-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H10N2OS2
MOLECULAR WEIGHT: 286.372
SMILES: CC1=C(SC2=C1C(=O)N3C4=CC=CC=C4SC3=N2)C
Structure:

CAS RN: 159850-78-9
CAS Name: 3-benzoyl-6-(phenylmethyl)-7-isoxazolo[4,3-d]pyrimidinone
OPENEYE Name: 3-benzoyl-6-benzyl-isoxazolo[4,3-d]pyrimidin-7-one
IUPAC Name: 3-benzoyl-6-benzyl-[1,2]oxazolo[4,3-d]pyrimidin-7-one
SYSTEMATIC NAME: 3-(phenylcarbonyl)-6-(phenylmethyl)-[1,2]oxazolo[4,3-d]pyrimidin-7-one
MOLECULAR FORMULA: C19H13N3O3
MOLECULAR WEIGHT: 331.32482
SMILES: C1=CC=C(C=C1)CN2C=NC3=C(ON=C3C2=O)C(=O)C4=CC=CC=C4
Structure:

CAS RN: 159850-77-8
CAS Name: 3-benzoyl-5-(3,4,5-trimethoxyphenyl)-4H-isoxazolo[4,3-d]pyrimidin-7-one
OPENEYE Name: 3-benzoyl-5-(3,4,5-trimethoxyphenyl)-4H-isoxazolo[4,3-d]pyrimidin-7-one
IUPAC Name: 3-benzoyl-5-(3,4,5-trimethoxyphenyl)-4H-[1,2]oxazolo[4,3-d]pyrimidin-7-one
SYSTEMATIC NAME: 3-(phenylcarbonyl)-5-(3,4,5-trimethoxyphenyl)-4H-[1,2]oxazolo[4,3-d]pyrimidin-7-one
MOLECULAR FORMULA: C21H17N3O6
MOLECULAR WEIGHT: 407.37618
SMILES: COC1=CC(=CC(=C1OC)OC)C2=NC(=O)C3=NOC(=C3N2)C(=O)C4=CC=CC=C4
Structure:

CAS RN: 159850-76-7
CAS Name: 3-benzoyl-5-(4-methoxyphenyl)-4H-isoxazolo[4,3-d]pyrimidin-7-one
OPENEYE Name: 3-benzoyl-5-(4-methoxyphenyl)-4H-isoxazolo[4,3-d]pyrimidin-7-one
IUPAC Name: 3-benzoyl-5-(4-methoxyphenyl)-4H-[1,2]oxazolo[4,3-d]pyrimidin-7-one
SYSTEMATIC NAME: 5-(4-methoxyphenyl)-3-(phenylcarbonyl)-4H-[1,2]oxazolo[4,3-d]pyrimidin-7-one
MOLECULAR FORMULA: C19H13N3O4
MOLECULAR WEIGHT: 347.32422
SMILES: COC1=CC=C(C=C1)C2=NC(=O)C3=NOC(=C3N2)C(=O)C4=CC=CC=C4
Structure:

CAS RN: 159850-75-6
CAS Name: 3-benzoyl-5-(4-chlorophenyl)-4H-isoxazolo[4,3-d]pyrimidin-7-one
OPENEYE Name: 3-benzoyl-5-(4-chlorophenyl)-4H-isoxazolo[4,3-d]pyrimidin-7-one
IUPAC Name: 3-benzoyl-5-(4-chlorophenyl)-4H-[1,2]oxazolo[4,3-d]pyrimidin-7-one
SYSTEMATIC NAME: 5-(4-chlorophenyl)-3-(phenylcarbonyl)-4H-[1,2]oxazolo[4,3-d]pyrimidin-7-one
MOLECULAR FORMULA: C18H10ClN3O3
MOLECULAR WEIGHT: 351.7433
SMILES: C1=CC=C(C=C1)C(=O)C2=C3C(=NO2)C(=O)N=C(N3)C4=CC=C(C=C4)Cl
Structure:

CAS RN: 159850-74-5
CAS Name: 3-benzoyl-5-phenyl-4H-isoxazolo[4,3-d]pyrimidin-7-one
OPENEYE Name: 3-benzoyl-5-phenyl-4H-isoxazolo[4,3-d]pyrimidin-7-one
IUPAC Name: 3-benzoyl-5-phenyl-4H-[1,2]oxazolo[4,3-d]pyrimidin-7-one
SYSTEMATIC NAME: 5-phenyl-3-(phenylcarbonyl)-4H-[1,2]oxazolo[4,3-d]pyrimidin-7-one
MOLECULAR FORMULA: C18H11N3O3
MOLECULAR WEIGHT: 317.29824
SMILES: C1=CC=C(C=C1)C2=NC(=O)C3=NOC(=C3N2)C(=O)C4=CC=CC=C4
Structure:

CAS RN: 159850-73-4
CAS Name: 3-benzoyl-5-methyl-4H-isoxazolo[4,3-d]pyrimidin-7-one
OPENEYE Name: 3-benzoyl-5-methyl-4H-isoxazolo[4,3-d]pyrimidin-7-one
IUPAC Name: 3-benzoyl-5-methyl-4H-[1,2]oxazolo[4,3-d]pyrimidin-7-one
SYSTEMATIC NAME: 5-methyl-3-(phenylcarbonyl)-4H-[1,2]oxazolo[4,3-d]pyrimidin-7-one
MOLECULAR FORMULA: C13H9N3O3
MOLECULAR WEIGHT: 255.22886
SMILES: CC1=NC(=O)C2=NOC(=C2N1)C(=O)C3=CC=CC=C3
Structure:

CAS RN: 159850-71-2
CAS Name: 3-benzoyl-4H-isoxazolo[4,3-d]pyrimidin-7-one
OPENEYE Name: 3-benzoyl-4H-isoxazolo[4,3-d]pyrimidin-7-one
IUPAC Name: 3-benzoyl-4H-[1,2]oxazolo[4,3-d]pyrimidin-7-one
SYSTEMATIC NAME: 3-(phenylcarbonyl)-4H-[1,2]oxazolo[4,3-d]pyrimidin-7-one
MOLECULAR FORMULA: C12H7N3O3
MOLECULAR WEIGHT: 241.20228
SMILES: C1=CC=C(C=C1)C(=O)C2=C3C(=NO2)C(=O)N=CN3
Structure:

CAS RN: 159831-77-3
CAS Name: 7-chloro-6-fluoro-4-[(phenylmethylene)amino]-3-cinnolinecarboxylic acid
OPENEYE Name: 4-(benzylideneamino)-7-chloro-6-fluoro-cinnoline-3-carboxylic acid
IUPAC Name: 4-(benzylideneamino)-7-chloro-6-fluorocinnoline-3-carboxylic acid
SYSTEMATIC NAME: 7-chloranyl-6-fluoranyl-4-[(phenylmethylidene)amino]cinnoline-3-carboxylic acid
MOLECULAR FORMULA: C16H9ClFN3O2
MOLECULAR WEIGHT: 329.712963
SMILES: C1=CC=C(C=C1)C=NC2=C(N=NC3=CC(=C(C=C32)F)Cl)C(=O)O
Structure:

CAS RN: 159831-74-0
CAS Name: 7-chloro-6-fluoro-4-[(phenylmethylene)amino]-3-cinnolinecarboxamide
OPENEYE Name: 4-(benzylideneamino)-7-chloro-6-fluoro-cinnoline-3-carboxamide
IUPAC Name: 4-(benzylideneamino)-7-chloro-6-fluorocinnoline-3-carboxamide
SYSTEMATIC NAME: 7-chloranyl-6-fluoranyl-4-[(phenylmethylidene)amino]cinnoline-3-carboxamide
MOLECULAR FORMULA: C16H10ClFN4O
MOLECULAR WEIGHT: 328.728203
SMILES: C1=CC=C(C=C1)C=NC2=C(N=NC3=CC(=C(C=C32)F)Cl)C(=O)N
Structure:

CAS RN: 159831-73-9
CAS Name: 4-amino-7-chloro-6-fluoro-3-cinnolinecarboxylic acid
OPENEYE Name: 4-amino-7-chloro-6-fluoro-cinnoline-3-carboxylic acid
IUPAC Name: 4-amino-7-chloro-6-fluorocinnoline-3-carboxylic acid
SYSTEMATIC NAME: 4-azanyl-7-chloranyl-6-fluoranyl-cinnoline-3-carboxylic acid
MOLECULAR FORMULA: C9H5ClFN3O2
MOLECULAR WEIGHT: 241.606303
SMILES: C1=C2C(=CC(=C1F)Cl)N=NC(=C2N)C(=O)O
Structure:

CAS RN: 159831-72-8
CAS Name: 4-amino-7-chloro-6-fluoro-3-cinnolinecarboxamide
OPENEYE Name: 4-amino-7-chloro-6-fluoro-cinnoline-3-carboxamide
IUPAC Name: 4-amino-7-chloro-6-fluorocinnoline-3-carboxamide
SYSTEMATIC NAME: 4-azanyl-7-chloranyl-6-fluoranyl-cinnoline-3-carboxamide
MOLECULAR FORMULA: C9H6ClFN4O
MOLECULAR WEIGHT: 240.621543
SMILES: C1=C2C(=CC(=C1F)Cl)N=NC(=C2N)C(=O)N
Structure:

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