Thursday, March 29, 2012

http://ChemLookup.com Compounds




CAS RN: 6959-72-4
CAS Name: 1,3-bis(2,4,4-trimethylpentan-2-yl)thiourea
OPENEYE Name: 1,3-bis(1,1,3,3-tetramethylbutyl)thiourea
IUPAC Name: 1,3-bis(2,4,4-trimethylpentan-2-yl)thiourea
SYSTEMATIC NAME: 1,3-bis(2,4,4-trimethylpentan-2-yl)thiourea
MOLECULAR FORMULA: C17H36N2S
MOLECULAR WEIGHT: 300.54614
SMILES: CC(C)(C)CC(C)(C)NC(=S)NC(C)(C)CC(C)(C)C
Structure:

CAS RN: 83476-80-6
CAS Name: N'-[1-(2-pyridinyl)ethyl]-1-azepanecarbothiohydrazide
OPENEYE Name: N'-[1-(2-pyridyl)ethyl]azepane-1-carbothiohydrazide
IUPAC Name: N'-(1-pyridin-2-ylethyl)azepane-1-carbothiohydrazide
SYSTEMATIC NAME: N'-(1-pyridin-2-ylethyl)azepane-1-carbothiohydrazide
MOLECULAR FORMULA: C14H22N4S
MOLECULAR WEIGHT: 278.41628
SMILES: CC(C1=CC=CC=N1)NNC(=S)N2CCCCCC2
Structure:

CAS RN: 83476-78-2
CAS Name: N'-[1-(2-pyridinyl)ethyl]-1-pyrrolidinecarbothiohydrazide
OPENEYE Name: N'-[1-(2-pyridyl)ethyl]pyrrolidine-1-carbothiohydrazide
IUPAC Name: N'-(1-pyridin-2-ylethyl)pyrrolidine-1-carbothiohydrazide
SYSTEMATIC NAME: N'-(1-pyridin-2-ylethyl)pyrrolidine-1-carbothiohydrazide
MOLECULAR FORMULA: C12H18N4S
MOLECULAR WEIGHT: 250.36312
SMILES: CC(C1=CC=CC=N1)NNC(=S)N2CCCC2
Structure:

CAS RN: 88324-44-1
CAS Name: 1-[1-(1-isoquinolinyl)ethylideneamino]-3-propylthiourea
OPENEYE Name: 1-[1-(1-isoquinolyl)ethylideneamino]-3-propyl-thiourea
IUPAC Name: 1-(1-isoquinolin-1-ylethylideneamino)-3-propylthiourea
SYSTEMATIC NAME: 1-(1-isoquinolin-1-ylethylideneamino)-3-propyl-thiourea
MOLECULAR FORMULA: C15H18N4S
MOLECULAR WEIGHT: 286.39522
SMILES: CCCNC(=S)NN=C(C)C1=NC=CC2=CC=CC=C21
Structure:

CAS RN: 88327-22-4
CAS Name: N'-[1-(2-quinolinyl)ethyl]-1-pyrrolidinecarbothiohydrazide
OPENEYE Name: N'-[1-(2-quinolyl)ethyl]pyrrolidine-1-carbothiohydrazide
IUPAC Name: N'-(1-quinolin-2-ylethyl)pyrrolidine-1-carbothiohydrazide
SYSTEMATIC NAME: N'-(1-quinolin-2-ylethyl)pyrrolidine-1-carbothiohydrazide
MOLECULAR FORMULA: C16H20N4S
MOLECULAR WEIGHT: 300.4218
SMILES: CC(C1=NC2=CC=CC=C2C=C1)NNC(=S)N3CCCC3
Structure:

CAS RN: 86919-55-3
CAS Name: 1-[1-(6-methyl-2-pyridinyl)ethylideneamino]-3-prop-2-enylthiourea
OPENEYE Name: 1-allyl-3-[1-(6-methyl-2-pyridyl)ethylideneamino]thiourea
IUPAC Name: 1-[1-(6-methylpyridin-2-yl)ethylideneamino]-3-prop-2-enylthiourea
SYSTEMATIC NAME: 1-[1-(6-methylpyridin-2-yl)ethylideneamino]-3-prop-2-enyl-thiourea
MOLECULAR FORMULA: C12H16N4S
MOLECULAR WEIGHT: 248.34724
SMILES: CC1=CC=CC(=N1)C(=NNC(=S)NCC=C)C
Structure:

CAS RN: 88324-32-7
CAS Name: 1-[[2-methyl-1-(2-pyridinyl)propylidene]amino]-3-prop-2-enylthiourea
OPENEYE Name: 1-allyl-3-[[2-methyl-1-(2-pyridyl)propylidene]amino]thiourea
IUPAC Name: 1-[(2-methyl-1-pyridin-2-ylpropylidene)amino]-3-prop-2-enylthiourea
SYSTEMATIC NAME: 1-[(2-methyl-1-pyridin-2-yl-propylidene)amino]-3-prop-2-enyl-thiourea
MOLECULAR FORMULA: C13H18N4S
MOLECULAR WEIGHT: 262.37382
SMILES: CC(C)C(=NNC(=S)NCC=C)C1=CC=CC=N1
Structure:

CAS RN: 86919-60-0
CAS Name: 1-prop-2-enyl-3-[1-(2-pyridinyl)butylideneamino]thiourea
OPENEYE Name: 1-allyl-3-[1-(2-pyridyl)butylideneamino]thiourea
IUPAC Name: 1-prop-2-enyl-3-(1-pyridin-2-ylbutylideneamino)thiourea
SYSTEMATIC NAME: 1-prop-2-enyl-3-(1-pyridin-2-ylbutylideneamino)thiourea
MOLECULAR FORMULA: C13H18N4S
MOLECULAR WEIGHT: 262.37382
SMILES: CCCC(=NNC(=S)NCC=C)C1=CC=CC=N1
Structure:

CAS RN: 71555-44-7
CAS Name: N-[1-(2-pyridinyl)ethylideneamino]-azacyclotridecane-1-carbothioamide
OPENEYE Name: N-[1-(2-pyridyl)ethylideneamino]-azacyclotridecane-1-carbothioamide
IUPAC Name: N-(1-pyridin-2-ylethylideneamino)-azacyclotridecane-1-carbothioamide
SYSTEMATIC NAME: N-(1-pyridin-2-ylethylideneamino)-1-azacyclotridecane-1-carbothioamide
MOLECULAR FORMULA: C20H32N4S
MOLECULAR WEIGHT: 360.55988
SMILES: CC(=NNC(=S)N1CCCCCCCCCCCC1)C2=CC=CC=N2
Structure:

CAS RN: 88324-30-5
CAS Name: N-[1-(2-pyridinyl)ethylideneamino]-4-thiomorpholinecarbothioamide
OPENEYE Name: N-[1-(2-pyridyl)ethylideneamino]thiomorpholine-4-carbothioamide
IUPAC Name: N-(1-pyridin-2-ylethylideneamino)thiomorpholine-4-carbothioamide
SYSTEMATIC NAME: N-(1-pyridin-2-ylethylideneamino)thiomorpholine-4-carbothioamide
MOLECULAR FORMULA: C12H16N4S2
MOLECULAR WEIGHT: 280.41224
SMILES: CC(=NNC(=S)N1CCSCC1)C2=CC=CC=N2
Structure:

CAS RN: 70618-03-0
CAS Name: 1-(3-fluorophenyl)-3-[1-(2-pyridinyl)ethylideneamino]thiourea
OPENEYE Name: 1-(3-fluorophenyl)-3-[1-(2-pyridyl)ethylideneamino]thiourea
IUPAC Name: 1-(3-fluorophenyl)-3-(1-pyridin-2-ylethylideneamino)thiourea
SYSTEMATIC NAME: 1-(3-fluorophenyl)-3-(1-pyridin-2-ylethylideneamino)thiourea
MOLECULAR FORMULA: C14H13FN4S
MOLECULAR WEIGHT: 288.343223
SMILES: CC(=NNC(=S)NC1=CC(=CC=C1)F)C2=CC=CC=N2
Structure:

CAS RN: 70618-67-6
CAS Name: 1-prop-2-enyl-3-[1-(2-pyridinyl)ethylideneamino]thiourea
OPENEYE Name: 1-allyl-3-[1-(2-pyridyl)ethylideneamino]thiourea
IUPAC Name: 1-prop-2-enyl-3-(1-pyridin-2-ylethylideneamino)thiourea
SYSTEMATIC NAME: 1-prop-2-enyl-3-(1-pyridin-2-ylethylideneamino)thiourea
MOLECULAR FORMULA: C11H14N4S
MOLECULAR WEIGHT: 234.32066
SMILES: CC(=NNC(=S)NCC=C)C1=CC=CC=N1
Structure:

CAS RN: 75013-64-8
CAS Name: 1-methyl-3-[1-(2-pyridinyl)ethylideneamino]thiourea
OPENEYE Name: 1-methyl-3-[1-(2-pyridyl)ethylideneamino]thiourea
IUPAC Name: 1-methyl-3-(1-pyridin-2-ylethylideneamino)thiourea
SYSTEMATIC NAME: 1-methyl-3-(1-pyridin-2-ylethylideneamino)thiourea
MOLECULAR FORMULA: C9H12N4S
MOLECULAR WEIGHT: 208.28338
SMILES: CC(=NNC(=S)NC)C1=CC=CC=N1
Structure:

CAS RN: 120386-11-0
CAS Name: 4-amino-7-(2-hydroxyethoxymethyl)-5-pyrrolo[2,3-d]pyrimidinecarbothioamide
OPENEYE Name: 4-amino-7-(2-hydroxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbothioamide
IUPAC Name: 4-amino-7-(2-hydroxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbothioamide
SYSTEMATIC NAME: 4-azanyl-7-(2-hydroxyethyloxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbothioamide
MOLECULAR FORMULA: C10H13N5O2S
MOLECULAR WEIGHT: 267.30752
SMILES: C1=C(C2=C(N1COCCO)N=CN=C2N)C(=S)N
Structure:

CAS RN: 28585-51-5
CAS Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-methyl-2-sulfanylidene-4-pyrimidinone
OPENEYE Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-2-thioxo-pyrimidin-4-one
IUPAC Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one
SYSTEMATIC NAME: 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-2-sulfanylidene-pyrimidin-4-one
MOLECULAR FORMULA: C10H14N2O4S
MOLECULAR WEIGHT: 258.29416
SMILES: CC1=CN(C(=S)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
Structure:

CAS RN: 5451-33-2
CAS Name: 6-amino-5-nitroso-2-sulfanylidene-1H-pyrimidin-4-one; ammonia
OPENEYE Name: 6-amino-5-nitroso-2-thioxo-1H-pyrimidin-4-one; ammonia
IUPAC Name: 6-amino-5-nitroso-2-sulfanylidene-1H-pyrimidin-4-one; azane
SYSTEMATIC NAME: azane; 6-azanyl-5-nitroso-2-sulfanylidene-1H-pyrimidin-4-one
MOLECULAR FORMULA: C4H7N5O2S
MOLECULAR WEIGHT: 189.19568
SMILES: C1(=C(NC(=S)NC1=O)N)N=O.N
Structure:

CAS RN: 97635-40-0
CAS Name: 6-amino-5-nitroso-2-sulfanylidene-1H-pyrimidin-4-one; ammonia
OPENEYE Name: 6-amino-5-nitroso-2-thioxo-1H-pyrimidin-4-one; ammonia
IUPAC Name: 6-amino-5-nitroso-2-sulfanylidene-1H-pyrimidin-4-one; azane
SYSTEMATIC NAME: azane; 6-azanyl-5-nitroso-2-sulfanylidene-1H-pyrimidin-4-one
MOLECULAR FORMULA: C4H7N5O2S
MOLECULAR WEIGHT: 189.19568
SMILES: C1(=C(NC(=S)NC1=O)N)N=O.N
Structure:

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