CAS RN: 28489-37-4
CAS Name: (6-methyl-5-nitro-2-pyridinyl)hydrazine
OPENEYE Name: (6-methyl-5-nitro-2-pyridyl)hydrazine
IUPAC Name: (6-methyl-5-nitropyridin-2-yl)hydrazine
SYSTEMATIC NAME: (6-methyl-5-nitro-pyridin-2-yl)diazane
MOLECULAR FORMULA: C6H8N4O2
MOLECULAR WEIGHT: 168.15332
SMILES: CC1=C(C=CC(=N1)NN)[N+](=O)[O-]
Structure:
CAS RN: 81467-37-0
CAS Name: N-[[(phenylmethyl)amino]-sulfanylidenemethyl]acetamide
OPENEYE Name: N-(benzylcarbamothioyl)acetamide
IUPAC Name: N-(benzylcarbamothioyl)acetamide
SYSTEMATIC NAME: N-[(phenylmethyl)carbamothioyl]ethanamide
MOLECULAR FORMULA: C10H12N2OS
MOLECULAR WEIGHT: 208.28008
SMILES: CC(=O)NC(=S)NCC1=CC=CC=C1
Structure:
CAS RN: 30695-42-2
CAS Name: 3-(4-butoxyphenyl)-5-methyl-2-sulfanylidene-1,3-diazinan-4-one
OPENEYE Name: 3-(4-butoxyphenyl)-5-methyl-2-thioxo-hexahydropyrimidin-4-one
IUPAC Name: 3-(4-butoxyphenyl)-5-methyl-2-sulfanylidene-1,3-diazinan-4-one
SYSTEMATIC NAME: 3-(4-butoxyphenyl)-5-methyl-2-sulfanylidene-1,3-diazinan-4-one
MOLECULAR FORMULA: C15H20N2O2S
MOLECULAR WEIGHT: 292.3965
SMILES: CCCCOC1=CC=C(C=C1)N2C(=O)C(CNC2=S)C
Structure:
CAS RN: 544423-20-3
CAS Name: 3-chloro-N-(2,6-diethylphenyl)propanamide
OPENEYE Name: 3-chloro-N-(2,6-diethylphenyl)propanamide
IUPAC Name: 3-chloro-N-(2,6-diethylphenyl)propanamide
SYSTEMATIC NAME: 3-chloranyl-N-(2,6-diethylphenyl)propanamide
MOLECULAR FORMULA: C13H18ClNO
MOLECULAR WEIGHT: 239.74112
SMILES: CCC1=C(C(=CC=C1)CC)NC(=O)CCCl
Structure:
CAS RN: 92460-82-7
CAS Name: 1-(2-methoxyphenyl)-3-(6-phenanthridinylmethylideneamino)thiourea
OPENEYE Name: 1-(2-methoxyphenyl)-3-(phenanthridin-6-ylmethyleneamino)thiourea
IUPAC Name: 1-(2-methoxyphenyl)-3-(phenanthridin-6-ylmethylideneamino)thiourea
SYSTEMATIC NAME: 1-(2-methoxyphenyl)-3-(phenanthridin-6-ylmethylideneamino)thiourea
MOLECULAR FORMULA: C22H18N4OS
MOLECULAR WEIGHT: 386.46952
SMILES: COC1=CC=CC=C1NC(=S)NN=CC2=NC3=CC=CC=C3C4=CC=CC=C42
Structure:
CAS RN: 190277-13-5
CAS Name: N-[3-(2-acetamidoethyl)-1H-indol-5-yl]carbamic acid methyl ester
OPENEYE Name: methyl N-[3-(2-acetamidoethyl)-1H-indol-5-yl]carbamate
IUPAC Name: methyl N-[3-(2-acetamidoethyl)-1H-indol-5-yl]carbamate
SYSTEMATIC NAME: methyl N-[3-(2-acetamidoethyl)-1H-indol-5-yl]carbamate
MOLECULAR FORMULA: C14H17N3O3
MOLECULAR WEIGHT: 275.30308
SMILES: CC(=O)NCCC1=CNC2=C1C=C(C=C2)NC(=O)OC
Structure:
CAS RN: 17329-32-7
CAS Name: 2-(2-hydroxyethyl)-1,3-dioxo-5-isoindolecarboxylate
OPENEYE Name: 2-(2-hydroxyethyl)-1,3-dioxo-isoindoline-5-carboxylate
IUPAC Name: 2-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxylate
SYSTEMATIC NAME: 2-(2-hydroxyethyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate
MOLECULAR FORMULA: C11H8NO5-
MOLECULAR WEIGHT: 234.18492
SMILES: C1=CC2=C(C=C1C(=O)[O-])C(=O)N(C2=O)CCO
Structure:
CAS RN: 519146-70-4
CAS Name: N-(2-chloro-3-pyridinyl)cyclopropanecarboxamide
OPENEYE Name: N-(2-chloro-3-pyridyl)cyclopropanecarboxamide
IUPAC Name: N-(2-chloropyridin-3-yl)cyclopropanecarboxamide
SYSTEMATIC NAME: N-(2-chloranylpyridin-3-yl)cyclopropanecarboxamide
MOLECULAR FORMULA: C9H9ClN2O
MOLECULAR WEIGHT: 196.63356
SMILES: C1CC1C(=O)NC2=C(N=CC=C2)Cl
Structure:
CAS RN: 20865-50-3
CAS Name: 4-amino-5-(propan-2-yloxymethyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid
OPENEYE Name: 4-amino-5-(isopropoxymethyl)-2-thioxo-1H-pyrimidine-6-carboxylic acid
IUPAC Name: 4-amino-5-(propan-2-yloxymethyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid
SYSTEMATIC NAME: 4-azanyl-5-(propan-2-yloxymethyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid
MOLECULAR FORMULA: C9H13N3O3S
MOLECULAR WEIGHT: 243.28282
SMILES: CC(C)OCC1=C(NC(=S)N=C1N)C(=O)O
Structure:
CAS RN: 7681-93-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C33H47NO13
MOLECULAR WEIGHT: 665.72518
SMILES: CC1CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC3C(O3)C=CC(=O)O1)O)O)O)C(=O)O)OC4C(C(C(C(O4)C)O)N)O
Structure:
CAS RN: 91679-53-7
CAS Name: N'-(carbamothioylamino)carbamimidothioic acid methyl ester
OPENEYE Name: [[amino(methylsulfanyl)methylene]amino]thiourea
IUPAC Name: methyl N'-(carbamothioylamino)carbamimidothioate
SYSTEMATIC NAME: methyl N'-(carbamothioylamino)carbamimidothioate
MOLECULAR FORMULA: C3H8N4S2
MOLECULAR WEIGHT: 164.25242
SMILES: CSC(=NNC(=S)N)N
Structure:
CAS RN: 161790-50-7
CAS Name: 2-(2-methylphenoxy)butanoic acid
OPENEYE Name: 2-(2-methylphenoxy)butanoic acid
IUPAC Name: 2-(2-methylphenoxy)butanoic acid
SYSTEMATIC NAME: 2-(2-methylphenoxy)butanoic acid
MOLECULAR FORMULA: C11H14O3
MOLECULAR WEIGHT: 194.22706
SMILES: CCC(C(=O)O)OC1=CC=CC=C1C
Structure:
CAS RN: 383127-22-8
CAS Name: 2-(4-bromophenyl)pyrrolidine
OPENEYE Name: 2-(4-bromophenyl)pyrrolidine
IUPAC Name: 2-(4-bromophenyl)pyrrolidine
SYSTEMATIC NAME: 2-(4-bromophenyl)pyrrolidine
MOLECULAR FORMULA: C10H12BrN
MOLECULAR WEIGHT: 226.11298
SMILES: C1CC(NC1)C2=CC=C(C=C2)Br
Structure:
CAS RN: 77015-05-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H4N4O6
MOLECULAR WEIGHT: 276.16196
SMILES: C1=NC(=C2N1C(=O)C3=C(N=CN3C2=O)C(=O)O)C(=O)O
Structure:
CAS RN: 103668-99-1
CAS Name: 3-thiophen-2-ylbenzaldehyde
OPENEYE Name: 3-(2-thienyl)benzaldehyde
IUPAC Name: 3-thiophen-2-ylbenzaldehyde
SYSTEMATIC NAME: 3-thiophen-2-ylbenzaldehyde
MOLECULAR FORMULA: C11H8OS
MOLECULAR WEIGHT: 188.24562
SMILES: C1=CC(=CC(=C1)C=O)C2=CC=CS2
Structure:
CAS RN: 76527-21-4
CAS Name: 2-diazonio-1-[3,3-dimethyl-2-(4-methylphenyl)-2-oxiranyl]ethenolate
OPENEYE Name: 2-diazonio-1-[3,3-dimethyl-2-(p-tolyl)oxiran-2-yl]ethenolate
IUPAC Name: 2-diazonio-1-[3,3-dimethyl-2-(4-methylphenyl)oxiran-2-yl]ethenolate
SYSTEMATIC NAME: 2-diazonio-1-[3,3-dimethyl-2-(4-methylphenyl)oxiran-2-yl]ethenolate
MOLECULAR FORMULA: C13H14N2O2
MOLECULAR WEIGHT: 230.26246
SMILES: CC1=CC=C(C=C1)C2(C(O2)(C)C)C(=C[N+]#N)[O-]
Structure:
CAS RN: 71266-56-3
CAS Name: 6,8-dimethyl-2,4-bis(sulfanylidene)-1H-pyrimido[4,5-d][1,3]thiazine-5,7-dione
OPENEYE Name: 6,8-dimethyl-2,4-dithioxo-1H-pyrimido[4,5-d][1,3]thiazine-5,7-dione
IUPAC Name: 6,8-dimethyl-2,4-bis(sulfanylidene)-1H-pyrimido[4,5-d][1,3]thiazine-5,7-dione
SYSTEMATIC NAME: 6,8-dimethyl-2,4-bis(sulfanylidene)-1H-pyrimido[4,5-d][1,3]thiazine-5,7-dione
MOLECULAR FORMULA: C8H7N3O2S3
MOLECULAR WEIGHT: 273.35508
SMILES: CN1C2=C(C(=O)N(C1=O)C)C(=S)SC(=S)N2
Structure:
CAS RN: 58869-98-0
CAS Name: 1-hydroxy-3,6-dimethyl-4-pyridazinimine
OPENEYE Name: 1-hydroxy-3,6-dimethyl-pyridazin-4-imine
IUPAC Name: 1-hydroxy-3,6-dimethylpyridazin-4-imine
SYSTEMATIC NAME: 3,6-dimethyl-1-oxidanyl-pyridazin-4-imine
MOLECULAR FORMULA: C6H9N3O
MOLECULAR WEIGHT: 139.15516
SMILES: CC1=CC(=N)C(=NN1O)C
Structure:
CAS RN: 30761-30-9
CAS Name: N-(3-amino-3-sulfanylidenepropyl)benzamide
OPENEYE Name: N-(3-amino-3-thioxo-propyl)benzamide
IUPAC Name: N-(3-amino-3-sulfanylidenepropyl)benzamide
SYSTEMATIC NAME: N-(3-azanyl-3-sulfanylidene-propyl)benzamide
MOLECULAR FORMULA: C10H12N2OS
MOLECULAR WEIGHT: 208.28008
SMILES: C1=CC=C(C=C1)C(=O)NCCC(=S)N
Structure:
CAS RN: 23815-89-6
CAS Name: 2-[[2-[[[1-[[1-[2-amino-5-(diaminomethylideneamino)-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-3-phenylpropanoic acid
OPENEYE Name: 2-[[2-[[1-[1-(2-amino-5-guanidino-pentanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenyl-propanoic acid
IUPAC Name: 2-[[2-[[1-[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoic acid
SYSTEMATIC NAME: 2-[2-[[1-[1-[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]ethanoylamino]-3-phenyl-propanoic acid
MOLECULAR FORMULA: C27H40N8O6
MOLECULAR WEIGHT: 572.6565
SMILES: C1CC(N(C1)C(=O)C2CCCN2C(=O)C(CCCN=C(N)N)N)C(=O)NCC(=O)NC(CC3=CC=CC=C3)C(=O)O
Structure:
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