CAS RN: 63547-69-3
CAS Name: 1-cyclohexyl-4-methoxy-5,5-dimethyl-2-imidazolidinethione
OPENEYE Name: 1-cyclohexyl-4-methoxy-5,5-dimethyl-imidazolidine-2-thione
IUPAC Name: 1-cyclohexyl-4-methoxy-5,5-dimethylimidazolidine-2-thione
SYSTEMATIC NAME: 1-cyclohexyl-4-methoxy-5,5-dimethyl-imidazolidine-2-thione
MOLECULAR FORMULA: C12H22N2OS
MOLECULAR WEIGHT: 242.38088
SMILES: CC1(C(NC(=S)N1C2CCCCC2)OC)C
Structure:
CAS RN: 89182-03-6
CAS Name: 2-amino-6-(methylamino)-1H-pyrimidine-4-thione
OPENEYE Name: 2-amino-6-(methylamino)-1H-pyrimidine-4-thione
IUPAC Name: 2-amino-6-(methylamino)-1H-pyrimidine-4-thione
SYSTEMATIC NAME: 2-azanyl-6-(methylamino)-1H-pyrimidine-4-thione
MOLECULAR FORMULA: C5H8N4S
MOLECULAR WEIGHT: 156.20882
SMILES: CNC1=CC(=S)N=C(N1)N
Structure:
CAS RN: 13029-74-8
CAS Name: 2-[(4-methoxyphenyl)sulfonylamino]acetate
OPENEYE Name: 2-[(4-methoxyphenyl)sulfonylamino]acetate
IUPAC Name: 2-[(4-methoxyphenyl)sulfonylamino]acetate
SYSTEMATIC NAME: 2-[(4-methoxyphenyl)sulfonylamino]ethanoate
MOLECULAR FORMULA: C9H10NO5S-
MOLECULAR WEIGHT: 244.2444
SMILES: COC1=CC=C(C=C1)S(=O)(=O)NCC(=O)[O-]
Structure:
CAS RN: 65757-10-0
CAS Name: 2-[[2-[[2-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-1-oxo-3-phenylpropyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxo-3-phenylpropyl]amino]-3-phenylpropanoic acid
OPENEYE Name: 2-[[2-[[2-[[2-[(2-amino-3-phenyl-propanoyl)amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid
IUPAC Name: 2-[[2-[[2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
SYSTEMATIC NAME: 2-[[2-[[2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid
MOLECULAR FORMULA: C45H47N5O6
MOLECULAR WEIGHT: 753.88458
SMILES: C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CC4=CC=CC=C4)C(=O)NC(CC5=CC=CC=C5)C(=O)O)N
Structure:
CAS RN: 28128-30-5
CAS Name: 2-methoxy-7H-purin-6-amine
OPENEYE Name: 2-methoxy-7H-purin-6-amine
IUPAC Name: 2-methoxy-7H-purin-6-amine
SYSTEMATIC NAME: 2-methoxy-7H-purin-6-amine
MOLECULAR FORMULA: C6H7N5O
MOLECULAR WEIGHT: 165.15268
SMILES: COC1=NC2=C(C(=N1)N)NC=N2
Structure:
CAS RN: 650628-49-2
CAS Name: [3-(trifluoromethoxy)phenyl]hydrazine
OPENEYE Name: [3-(trifluoromethoxy)phenyl]hydrazine
IUPAC Name: [3-(trifluoromethoxy)phenyl]hydrazine
SYSTEMATIC NAME: [3-(trifluoromethyloxy)phenyl]diazane
MOLECULAR FORMULA: C7H7F3N2O
MOLECULAR WEIGHT: 192.13849
SMILES: C1=CC(=CC(=C1)OC(F)(F)F)NN
Structure:
CAS RN: 175205-82-0
CAS Name: 2-bromo-3-(trifluoromethyl)pyridine
OPENEYE Name: 2-bromo-3-(trifluoromethyl)pyridine
IUPAC Name: 2-bromo-3-(trifluoromethyl)pyridine
SYSTEMATIC NAME: 2-bromanyl-3-(trifluoromethyl)pyridine
MOLECULAR FORMULA: C6H3BrF3N
MOLECULAR WEIGHT: 225.99393
SMILES: C1=CC(=C(N=C1)Br)C(F)(F)F
Structure:
CAS RN: 91545-27-6
CAS Name: 5-(1H-indazol-3-yl)-3H-1,3,4-oxadiazole-2-thione
OPENEYE Name: 5-(1H-indazol-3-yl)-3H-1,3,4-oxadiazole-2-thione
IUPAC Name: 5-(1H-indazol-3-yl)-3H-1,3,4-oxadiazole-2-thione
SYSTEMATIC NAME: 5-(1H-indazol-3-yl)-3H-1,3,4-oxadiazole-2-thione
MOLECULAR FORMULA: C9H6N4OS
MOLECULAR WEIGHT: 218.23514
SMILES: C1=CC=C2C(=C1)C(=NN2)C3=NNC(=S)O3
Structure:
CAS RN: 77747-74-1
CAS Name: 4-amino-2,2-dimethyl-1,3-dihydropyridine-6-thione
OPENEYE Name: 4-amino-2,2-dimethyl-1,3-dihydropyridine-6-thione
IUPAC Name: 4-amino-2,2-dimethyl-1,3-dihydropyridine-6-thione
SYSTEMATIC NAME: 4-azanyl-2,2-dimethyl-1,3-dihydropyridine-6-thione
MOLECULAR FORMULA: C7H12N2S
MOLECULAR WEIGHT: 156.24858
SMILES: CC1(CC(=CC(=S)N1)N)C
Structure:
CAS RN: 67642-38-0
CAS Name: N-[2-[[4,5-dihydroxy-2-methyl-6-(7H-purin-6-ylamino)-3-oxanyl]amino]-2-oxoethyl]hexanamide
OPENEYE Name: N-[2-[[4,5-dihydroxy-2-methyl-6-(7H-purin-6-ylamino)tetrahydropyran-3-yl]amino]-2-oxo-ethyl]hexanamide
IUPAC Name: N-[2-[[4,5-dihydroxy-2-methyl-6-(7H-purin-6-ylamino)oxan-3-yl]amino]-2-oxoethyl]hexanamide
SYSTEMATIC NAME: N-[2-[[2-methyl-4,5-bis(oxidanyl)-6-(7H-purin-6-ylamino)oxan-3-yl]amino]-2-oxidanylidene-ethyl]hexanamide
MOLECULAR FORMULA: C19H29N7O5
MOLECULAR WEIGHT: 435.47746
SMILES: CCCCCC(=O)NCC(=O)NC1C(OC(C(C1O)O)NC2=NC=NC3=C2NC=N3)C
Structure:
CAS RN: 90947-51-6
CAS Name: 6-(7H-purin-6-ylthio)-7H-purine
OPENEYE Name: 6-(7H-purin-6-ylsulfanyl)-7H-purine
IUPAC Name: 6-(7H-purin-6-ylsulfanyl)-7H-purine
SYSTEMATIC NAME: 6-(7H-purin-6-ylsulfanyl)-7H-purine
MOLECULAR FORMULA: C10H6N8S
MOLECULAR WEIGHT: 270.27324
SMILES: C1=NC2=C(N1)C(=NC=N2)SC3=NC=NC4=C3NC=N4
Structure:
CAS RN: 158502-05-7
CAS Name: 2-(10-phenothiazinyl)acetyl chloride
OPENEYE Name: 2-phenothiazin-10-ylacetyl chloride
IUPAC Name: 2-phenothiazin-10-ylacetyl chloride
SYSTEMATIC NAME: 2-phenothiazin-10-ylethanoyl chloride
MOLECULAR FORMULA: C14H10ClNOS
MOLECULAR WEIGHT: 275.7533
SMILES: C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CC(=O)Cl
Structure:
CAS RN: 52756-50-0
CAS Name: 1-(3,3-dimethylbutan-2-ylideneamino)-3-methylthiourea
OPENEYE Name: 1-methyl-3-(1,2,2-trimethylpropylideneamino)thiourea
IUPAC Name: 1-(3,3-dimethylbutan-2-ylideneamino)-3-methylthiourea
SYSTEMATIC NAME: 1-(3,3-dimethylbutan-2-ylideneamino)-3-methyl-thiourea
MOLECULAR FORMULA: C8H17N3S
MOLECULAR WEIGHT: 187.30568
SMILES: CC(=NNC(=S)NC)C(C)(C)C
Structure:
CAS RN: 77746-54-4
CAS Name: 2-(4-methylphenyl)-5-phenyl-3-pyrazolamine
OPENEYE Name: 5-phenyl-2-(p-tolyl)pyrazol-3-amine
IUPAC Name: 2-(4-methylphenyl)-5-phenylpyrazol-3-amine
SYSTEMATIC NAME: 2-(4-methylphenyl)-5-phenyl-pyrazol-3-amine
MOLECULAR FORMULA: C16H15N3
MOLECULAR WEIGHT: 249.3104
SMILES: CC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)N
Structure:
CAS RN: 3729-90-6
CAS Name: 3-methyl-1,5-diphenylpyrazole
OPENEYE Name: 3-methyl-1,5-diphenyl-pyrazole
IUPAC Name: 3-methyl-1,5-diphenylpyrazole
SYSTEMATIC NAME: 3-methyl-1,5-diphenyl-pyrazole
MOLECULAR FORMULA: C16H14N2
MOLECULAR WEIGHT: 234.29576
SMILES: CC1=NN(C(=C1)C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 93772-18-0
CAS Name: acetic acid (2,3,8,9-tetramethoxy-5,6-dimethyl-6H-benzo[c]phenanthridin-11-yl) ester
OPENEYE Name: (2,3,8,9-tetramethoxy-5,6-dimethyl-6H-benzo[c]phenanthridin-11-yl) acetate
IUPAC Name: (2,3,8,9-tetramethoxy-5,6-dimethyl-6H-benzo[c]phenanthridin-11-yl) acetate
SYSTEMATIC NAME: (2,3,8,9-tetramethoxy-5,6-dimethyl-6H-benzo[c]phenanthridin-11-yl) ethanoate
MOLECULAR FORMULA: C25H27NO6
MOLECULAR WEIGHT: 437.48498
SMILES: CC1C2=CC(=C(C=C2C3=C(C=C4C=C(C(=CC4=C3N1C)OC)OC)OC(=O)C)OC)OC
Structure:
CAS RN: 588687-48-3
CAS Name: 4-methyl-3-(5-propan-2-yl-3-thiophenyl)-1H-1,2,4-triazole-5-thione
OPENEYE Name: 3-(5-isopropyl-3-thienyl)-4-methyl-1H-1,2,4-triazole-5-thione
IUPAC Name: 4-methyl-3-(5-propan-2-ylthiophen-3-yl)-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-methyl-3-(5-propan-2-ylthiophen-3-yl)-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C10H13N3S2
MOLECULAR WEIGHT: 239.36032
SMILES: CC(C)C1=CC(=CS1)C2=NNC(=S)N2C
Structure:
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