CAS RN: 67411-01-2
CAS Name: 2-(2-methoxy-2-oxoethyl)-1H-pyrrole-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-(2-methoxy-2-oxo-ethyl)-1H-pyrrole-3-carboxylate
IUPAC Name: ethyl 2-(2-methoxy-2-oxoethyl)-1H-pyrrole-3-carboxylate
SYSTEMATIC NAME: ethyl 2-(2-methoxy-2-oxidanylidene-ethyl)-1H-pyrrole-3-carboxylate
MOLECULAR FORMULA: C10H13NO4
MOLECULAR WEIGHT: 211.21452
SMILES: CCOC(=O)C1=C(NC=C1)CC(=O)OC
Structure:
CAS RN: 67464-87-3
CAS Name: 2-(2-amino-2-oxoethyl)-1H-pyrrole-3-carboxylic acid
OPENEYE Name: 2-(2-amino-2-oxo-ethyl)-1H-pyrrole-3-carboxylic acid
IUPAC Name: 2-(2-amino-2-oxoethyl)-1H-pyrrole-3-carboxylic acid
SYSTEMATIC NAME: 2-(2-azanyl-2-oxidanylidene-ethyl)-1H-pyrrole-3-carboxylic acid
MOLECULAR FORMULA: C7H8N2O3
MOLECULAR WEIGHT: 168.15002
SMILES: C1=CNC(=C1C(=O)O)CC(=O)N
Structure:
CAS RN: 67464-81-7
CAS Name: 2-(cyanomethyl)-1H-pyrrole-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-(cyanomethyl)-1H-pyrrole-3-carboxylate
IUPAC Name: ethyl 2-(cyanomethyl)-1H-pyrrole-3-carboxylate
SYSTEMATIC NAME: ethyl 2-(cyanomethyl)-1H-pyrrole-3-carboxylate
MOLECULAR FORMULA: C9H10N2O2
MOLECULAR WEIGHT: 178.1879
SMILES: CCOC(=O)C1=C(NC=C1)CC#N
Structure:
CAS RN: 67411-05-6
CAS Name: 1,7-dihydropyrano[4,3-b]pyrrole-4,6-dione
OPENEYE Name: 1,7-dihydropyrano[4,3-b]pyrrole-4,6-dione
IUPAC Name: 1,7-dihydropyrano[4,3-b]pyrrole-4,6-dione
SYSTEMATIC NAME: 1,7-dihydropyrano[4,3-b]pyrrole-4,6-dione
MOLECULAR FORMULA: C7H5NO3
MOLECULAR WEIGHT: 151.1195
SMILES: C1C2=C(C=CN2)C(=O)OC1=O
Structure:
CAS RN: 67139-78-0
CAS Name: 5-methyl-1,7-dihydropyrrolo[3,2-c]pyridine-4,6-dione
OPENEYE Name: 5-methyl-1,7-dihydropyrrolo[3,2-c]pyridine-4,6-dione
IUPAC Name: 5-methyl-1,7-dihydropyrrolo[3,2-c]pyridine-4,6-dione
SYSTEMATIC NAME: 5-methyl-1,7-dihydropyrrolo[3,2-c]pyridine-4,6-dione
MOLECULAR FORMULA: C8H8N2O2
MOLECULAR WEIGHT: 164.16132
SMILES: CN1C(=O)CC2=C(C1=O)C=CN2
Structure:
CAS RN: 65523-03-7
CAS Name: 1,7-dihydropyrrolo[3,2-c]pyridine-4,6-dione
OPENEYE Name: 1,7-dihydropyrrolo[3,2-c]pyridine-4,6-dione
IUPAC Name: 1,7-dihydropyrrolo[3,2-c]pyridine-4,6-dione
SYSTEMATIC NAME: 1,7-dihydropyrrolo[3,2-c]pyridine-4,6-dione
MOLECULAR FORMULA: C7H6N2O2
MOLECULAR WEIGHT: 150.13474
SMILES: C1C2=C(C=CN2)C(=O)NC1=O
Structure:
CAS RN: 65523-04-8
CAS Name: 2-(2-amino-2-oxoethyl)-1H-pyrrole-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-(2-amino-2-oxo-ethyl)-1H-pyrrole-3-carboxylate
IUPAC Name: ethyl 2-(2-amino-2-oxoethyl)-1H-pyrrole-3-carboxylate
SYSTEMATIC NAME: ethyl 2-(2-azanyl-2-oxidanylidene-ethyl)-1H-pyrrole-3-carboxylate
MOLECULAR FORMULA: C9H12N2O3
MOLECULAR WEIGHT: 196.20318
SMILES: CCOC(=O)C1=C(NC=C1)CC(=O)N
Structure:
CAS RN: 74420-08-9
CAS Name: 3-bromo-7-hydroxypyrrolo[2,3-b]pyridine
OPENEYE Name: 3-bromo-7-hydroxy-pyrrolo[2,3-b]pyridine
IUPAC Name: 3-bromo-7-hydroxypyrrolo[2,3-b]pyridine
SYSTEMATIC NAME: 3-bromanyl-7-oxidanyl-pyrrolo[2,3-b]pyridine
MOLECULAR FORMULA: C7H5BrN2O
MOLECULAR WEIGHT: 213.0314
SMILES: C1=CN(C2=NC=C(C2=C1)Br)O
Structure:
CAS RN: 55052-24-9
CAS Name: 7-hydroxypyrrolo[2,3-b]pyridine
OPENEYE Name: 7-hydroxypyrrolo[2,3-b]pyridine
IUPAC Name: 7-hydroxypyrrolo[2,3-b]pyridine
SYSTEMATIC NAME: 7-oxidanylpyrrolo[2,3-b]pyridine
MOLECULAR FORMULA: C7H6N2O
MOLECULAR WEIGHT: 134.13534
SMILES: C1=CN(C2=NC=CC2=C1)O
Structure:
CAS RN: 23994-20-9
CAS Name: 4-chloro-1-isoquinolinecarbonitrile
OPENEYE Name: 4-chloroisoquinoline-1-carbonitrile
IUPAC Name: 4-chloroisoquinoline-1-carbonitrile
SYSTEMATIC NAME: 4-chloranylisoquinoline-1-carbonitrile
MOLECULAR FORMULA: C10H5ClN2
MOLECULAR WEIGHT: 188.6131
SMILES: C1=CC=C2C(=C1)C(=CN=C2C#N)Cl
Structure:
CAS RN: 20698-72-0
CAS Name: 4-(2-phenoxycyclohexyl)morpholine
OPENEYE Name: 4-(2-phenoxycyclohexyl)morpholine
IUPAC Name: 4-(2-phenoxycyclohexyl)morpholine
SYSTEMATIC NAME: 4-(2-phenoxycyclohexyl)morpholine
MOLECULAR FORMULA: C16H23NO2
MOLECULAR WEIGHT: 261.35932
SMILES: C1CCC(C(C1)N2CCOCC2)OC3=CC=CC=C3
Structure:
CAS RN: 66867-30-9
CAS Name: carbonic acid [cyano-(4-nitrophenyl)methyl] methyl ester
OPENEYE Name: [cyano-(4-nitrophenyl)methyl] methyl carbonate
IUPAC Name: [cyano-(4-nitrophenyl)methyl] methyl carbonate
SYSTEMATIC NAME: [cyano-(4-nitrophenyl)methyl] methyl carbonate
MOLECULAR FORMULA: C10H8N2O5
MOLECULAR WEIGHT: 236.18092
SMILES: COC(=O)OC(C#N)C1=CC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 66867-33-2
CAS Name: carbonic acid [cyano-(1-isoquinolinyl)-(4-nitrophenyl)methyl] ethyl ester
OPENEYE Name: [cyano-(1-isoquinolyl)-(4-nitrophenyl)methyl] ethyl carbonate
IUPAC Name: [cyano-isoquinolin-1-yl-(4-nitrophenyl)methyl] ethyl carbonate
SYSTEMATIC NAME: [cyano-isoquinolin-1-yl-(4-nitrophenyl)methyl] ethyl carbonate
MOLECULAR FORMULA: C20H15N3O5
MOLECULAR WEIGHT: 377.3502
SMILES: CCOC(=O)OC(C#N)(C1=CC=C(C=C1)[N+](=O)[O-])C2=NC=CC3=CC=CC=C32
Structure:
CAS RN: 65325-54-4
CAS Name: 1-cyano-3-methyl-1H-isoquinoline-2-carboxylic acid methyl ester
OPENEYE Name: methyl 1-cyano-3-methyl-1H-isoquinoline-2-carboxylate
IUPAC Name: methyl 1-cyano-3-methyl-1H-isoquinoline-2-carboxylate
SYSTEMATIC NAME: methyl 1-cyano-3-methyl-1H-isoquinoline-2-carboxylate
MOLECULAR FORMULA: C13H12N2O2
MOLECULAR WEIGHT: 228.24658
SMILES: CC1=CC2=CC=CC=C2C(N1C(=O)OC)C#N
Structure:
CAS RN: 55215-98-0
CAS Name: [(4-nitrophenyl)thio]-triphenylstannane
OPENEYE Name: (4-nitrophenyl)sulfanyl-triphenyl-stannane
IUPAC Name: (4-nitrophenyl)sulfanyl-triphenylstannane
SYSTEMATIC NAME: (4-nitrophenyl)sulfanyl-triphenyl-stannane
MOLECULAR FORMULA: C24H19NO2SSn
MOLECULAR WEIGHT: 504.18816
SMILES: C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)SC4=CC=C(C=C4)[N+](=O)[O-]
Structure:
CAS RN: 6840-67-1
CAS Name: chloro(triphenyl)stannane; diphenylphosphorylbenzene
OPENEYE Name: chloro(triphenyl)stannane; diphenylphosphorylbenzene
IUPAC Name: chloro(triphenyl)stannane; diphenylphosphorylbenzene
SYSTEMATIC NAME: chloranyl(triphenyl)stannane; diphenylphosphorylbenzene
MOLECULAR FORMULA: C36H30ClOPSn
MOLECULAR WEIGHT: 663.759561
SMILES: C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)Cl
Structure:
CAS RN: 39967-46-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H24N2O3
MOLECULAR WEIGHT: 352.42686
SMILES: CC[C@@H]1C[C@H]2CC3(C1N(C2=O)CCC4=C3NC5=CC=CC=C45)C(=O)OC
Structure:
CAS RN: 61431-41-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H24N2O
MOLECULAR WEIGHT: 296.40666
SMILES: CC[C@@H]1CC2CC3C1N(C2)CCC4(C3=NC5=CC=CC=C54)O
Structure:
CAS RN: 48065-82-3
CAS Name: 2-amino-6-(1-oxoprop-2-enylamino)hexanoic acid
OPENEYE Name: 2-amino-6-(prop-2-enoylamino)hexanoic acid
IUPAC Name: 2-amino-6-(prop-2-enoylamino)hexanoic acid
SYSTEMATIC NAME: 2-azanyl-6-(prop-2-enoylamino)hexanoic acid
MOLECULAR FORMULA: C9H16N2O3
MOLECULAR WEIGHT: 200.23494
SMILES: C=CC(=O)NCCCCC(C(=O)O)N
Structure:
CAS RN: 20766-85-2
CAS Name: 6-(1-oxoprop-2-enylamino)hexanoic acid
OPENEYE Name: 6-(prop-2-enoylamino)hexanoic acid
IUPAC Name: 6-(prop-2-enoylamino)hexanoic acid
SYSTEMATIC NAME: 6-(prop-2-enoylamino)hexanoic acid
MOLECULAR FORMULA: C9H15NO3
MOLECULAR WEIGHT: 185.2203
SMILES: C=CC(=O)NCCCCCC(=O)O
Structure:
CAS RN: 38486-53-2
CAS Name: 3-methyl-3-(1-oxoprop-2-enylamino)butanoic acid
OPENEYE Name: 3-methyl-3-(prop-2-enoylamino)butanoic acid
IUPAC Name: 3-methyl-3-(prop-2-enoylamino)butanoic acid
SYSTEMATIC NAME: 3-methyl-3-(prop-2-enoylamino)butanoic acid
MOLECULAR FORMULA: C8H13NO3
MOLECULAR WEIGHT: 171.19372
SMILES: CC(C)(CC(=O)O)NC(=O)C=C
Structure:
CAS RN: 29513-50-6
CAS Name: 2-methyl-2-(1-oxoprop-2-enylamino)propanoic acid
OPENEYE Name: 2-methyl-2-(prop-2-enoylamino)propanoic acid
IUPAC Name: 2-methyl-2-(prop-2-enoylamino)propanoic acid
SYSTEMATIC NAME: 2-methyl-2-(prop-2-enoylamino)propanoic acid
MOLECULAR FORMULA: C7H11NO3
MOLECULAR WEIGHT: 157.16714
SMILES: CC(C)(C(=O)O)NC(=O)C=C
Structure:
CAS RN: 29486-28-0
CAS Name: 2-[(2-methyl-1-oxoprop-2-enyl)amino]propanoic acid
OPENEYE Name: 2-(2-methylprop-2-enoylamino)propanoic acid
IUPAC Name: 2-(2-methylprop-2-enoylamino)propanoic acid
SYSTEMATIC NAME: 2-(2-methylprop-2-enoylamino)propanoic acid
MOLECULAR FORMULA: C7H11NO3
MOLECULAR WEIGHT: 157.16714
SMILES: CC(C(=O)O)NC(=O)C(=C)C
Structure:
CAS RN: 16069-16-2
CAS Name: 2-(1-oxoprop-2-enylamino)-3-phenylpropanoic acid
OPENEYE Name: 3-phenyl-2-(prop-2-enoylamino)propanoic acid
IUPAC Name: 3-phenyl-2-(prop-2-enoylamino)propanoic acid
SYSTEMATIC NAME: 3-phenyl-2-(prop-2-enoylamino)propanoic acid
MOLECULAR FORMULA: C12H13NO3
MOLECULAR WEIGHT: 219.23652
SMILES: C=CC(=O)NC(CC1=CC=CC=C1)C(=O)O
Structure:
CAS RN: 64854-72-4
CAS Name: 1-[4-hydroxy-5-(hydroxymethyl)-3-(nitromethyl)-2-oxolanyl]pyrimidine-2,4-dione
OPENEYE Name: 1-[4-hydroxy-5-(hydroxymethyl)-3-(nitromethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 1-[4-hydroxy-5-(hydroxymethyl)-3-(nitromethyl)oxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[5-(hydroxymethyl)-3-(nitromethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C10H13N3O7
MOLECULAR WEIGHT: 287.22612
SMILES: C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)C[N+](=O)[O-]
Structure:
CAS RN: 55114-43-7
CAS Name: 9-ethoxy-3,4,5,6,7,8-hexahydro-2H-azonine
OPENEYE Name: 9-ethoxy-3,4,5,6,7,8-hexahydro-2H-azonine
IUPAC Name: 9-ethoxy-3,4,5,6,7,8-hexahydro-2H-azonine
SYSTEMATIC NAME: 9-ethoxy-3,4,5,6,7,8-hexahydro-2H-azonine
MOLECULAR FORMULA: C10H19NO
MOLECULAR WEIGHT: 169.26396
SMILES: CCOC1=NCCCCCCC1
Structure:
CAS RN: 64906-29-2
CAS Name: 3-(dimethylamino)-2-imino-3-(methylthio)butanenitrile
OPENEYE Name: 2-(dimethylamino)-2-methylsulfanyl-propanimidoyl cyanide
IUPAC Name: 2-(dimethylamino)-2-methylsulfanylpropanimidoyl cyanide
SYSTEMATIC NAME: 2-azanylidene-3-(dimethylamino)-3-methylsulfanyl-butanenitrile
MOLECULAR FORMULA: C7H13N3S
MOLECULAR WEIGHT: 171.26322
SMILES: CC(C(=N)C#N)(N(C)C)SC
Structure:
CAS RN: 64906-30-5
CAS Name: 2-(4-morpholinyl)-2-phenylpropanedinitrile
OPENEYE Name: 2-morpholino-2-phenyl-propanedinitrile
IUPAC Name: 2-morpholin-4-yl-2-phenylpropanedinitrile
SYSTEMATIC NAME: 2-morpholin-4-yl-2-phenyl-propanedinitrile
MOLECULAR FORMULA: C13H13N3O
MOLECULAR WEIGHT: 227.26182
SMILES: C1COCCN1C(C#N)(C#N)C2=CC=CC=C2
Structure:
CAS RN: 73476-32-1
CAS Name: [bis(methylthio)methylideneamino]urea
OPENEYE Name: [bis(methylsulfanyl)methyleneamino]urea
IUPAC Name: [bis(methylsulfanyl)methylideneamino]urea
SYSTEMATIC NAME: 1-[bis(methylsulfanyl)methylideneamino]urea
MOLECULAR FORMULA: C4H9N3OS2
MOLECULAR WEIGHT: 179.26376
SMILES: CSC(=NNC(=O)N)SC
Structure:
CAS RN: 64906-31-6
CAS Name: 2,2-bis(4-morpholinyl)-2-phenylacetonitrile
OPENEYE Name: 2,2-dimorpholino-2-phenyl-acetonitrile
IUPAC Name: 2,2-dimorpholin-4-yl-2-phenylacetonitrile
SYSTEMATIC NAME: 2,2-dimorpholin-4-yl-2-phenyl-ethanenitrile
MOLECULAR FORMULA: C16H21N3O2
MOLECULAR WEIGHT: 287.35684
SMILES: C1COCCN1C(C#N)(C2=CC=CC=C2)N3CCOCC3
Structure:
CAS RN: 64906-27-0
CAS Name: 2-cyano-2-(dimethylamino)propanamide
OPENEYE Name: 2-cyano-2-(dimethylamino)propanamide
IUPAC Name: 2-cyano-2-(dimethylamino)propanamide
SYSTEMATIC NAME: 2-cyano-2-(dimethylamino)propanamide
MOLECULAR FORMULA: C6H11N3O
MOLECULAR WEIGHT: 141.17104
SMILES: CC(C#N)(C(=O)N)N(C)C
Structure:
CAS RN: 64906-32-7
CAS Name: 2-(methylthio)-2-(4-morpholinyl)-3-phenylpropanenitrile
OPENEYE Name: 2-methylsulfanyl-2-morpholino-3-phenyl-propanenitrile
IUPAC Name: 2-methylsulfanyl-2-morpholin-4-yl-3-phenylpropanenitrile
SYSTEMATIC NAME: 2-methylsulfanyl-2-morpholin-4-yl-3-phenyl-propanenitrile
MOLECULAR FORMULA: C14H18N2OS
MOLECULAR WEIGHT: 262.37052
SMILES: CSC(CC1=CC=CC=C1)(C#N)N2CCOCC2
Structure:
CAS RN: 4714-43-6
CAS Name: 2-(dimethylamino)-2-(methylthio)-2-phenylacetonitrile
OPENEYE Name: 2-(dimethylamino)-2-methylsulfanyl-2-phenyl-acetonitrile
IUPAC Name: 2-(dimethylamino)-2-methylsulfanyl-2-phenylacetonitrile
SYSTEMATIC NAME: 2-(dimethylamino)-2-methylsulfanyl-2-phenyl-ethanenitrile
MOLECULAR FORMULA: C11H14N2S
MOLECULAR WEIGHT: 206.30726
SMILES: CN(C)C(C#N)(C1=CC=CC=C1)SC
Structure:
CAS RN: 67483-70-9
CAS Name: 2-(methylsulfonimidoyl)aniline
OPENEYE Name: 2-(methylsulfonimidoyl)aniline
IUPAC Name: 2-(methylsulfonimidoyl)aniline
SYSTEMATIC NAME: 2-(methylsulfonimidoyl)aniline
MOLECULAR FORMULA: C7H10N2OS
MOLECULAR WEIGHT: 170.2321
SMILES: CS(=N)(=O)C1=CC=CC=C1N
Structure:
CAS RN: 52460-49-8
CAS Name: N,N,1-trimethyl-5-phenyl-1$l^{4}-thia-2,3,4-triazacyclopenta-1,3-dien-5-amine
OPENEYE Name: N,N,1-trimethyl-5-phenyl-1$l^{4}-thia-2,3,4-triazacyclopenta-1,3-dien-5-amine
IUPAC Name: N,N,1-trimethyl-5-phenyl-1$l^{4}-thia-2,3,4-triazacyclopenta-1,3-dien-5-amine
SYSTEMATIC NAME: N,N,1-trimethyl-5-phenyl-1$l^{4}-thia-2,3,4-triazacyclopenta-1,3-dien-5-amine
MOLECULAR FORMULA: C10H14N4S
MOLECULAR WEIGHT: 222.30996
SMILES: CN(C)C1(N=NN=S1C)C2=CC=CC=C2
Structure:
No comments:
Post a Comment