CAS RN: 6278-81-5
CAS Name: 1-amino-3-hexadecylthiourea
OPENEYE Name: 1-amino-3-hexadecyl-thiourea
IUPAC Name: 1-amino-3-hexadecylthiourea
SYSTEMATIC NAME: 1-azanyl-3-hexadecyl-thiourea
MOLECULAR FORMULA: C17H37N3S
MOLECULAR WEIGHT: 315.56078
SMILES: CCCCCCCCCCCCCCCCNC(=S)NN
Structure:
CAS RN: 6294-51-5
CAS Name: 5-amino-3H-thiazole-2-thione
OPENEYE Name: 5-amino-3H-thiazole-2-thione
IUPAC Name: 5-amino-3H-1,3-thiazole-2-thione
SYSTEMATIC NAME: 5-azanyl-3H-1,3-thiazole-2-thione
MOLECULAR FORMULA: C3H4N2S2
MOLECULAR WEIGHT: 132.20726
SMILES: C1=C(SC(=S)N1)N
Structure:
CAS RN: 6944-71-4
CAS Name: 4-sulfanylidene-1H-pyrimidine-6-carboxylic acid
OPENEYE Name: 4-thioxo-1H-pyrimidine-6-carboxylic acid
IUPAC Name: 4-sulfanylidene-1H-pyrimidine-6-carboxylic acid
SYSTEMATIC NAME: 4-sulfanylidene-1H-pyrimidine-6-carboxylic acid
MOLECULAR FORMULA: C5H4N2O2S
MOLECULAR WEIGHT: 156.16246
SMILES: C1=C(NC=NC1=S)C(=O)O
Structure:
CAS RN: 75415-78-0
CAS Name: 1,2-dibromocyclopentene
OPENEYE Name: 1,2-dibromocyclopentene
IUPAC Name: 1,2-dibromocyclopentene
SYSTEMATIC NAME: 1,2-bis(bromanyl)cyclopentene
MOLECULAR FORMULA: C5H6Br2
MOLECULAR WEIGHT: 225.90914
SMILES: C1CC(=C(C1)Br)Br
Structure:
CAS RN: 47795-34-6
CAS Name: 2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-eicosafluoro-10-(trifluoromethyl)undecyl]oxirane
OPENEYE Name: 2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-icosafluoro-10-(trifluoromethyl)undecyl]oxirane
IUPAC Name: 2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-icosafluoro-10-(trifluoromethyl)undecyl]oxirane
SYSTEMATIC NAME: 2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-icosakis(fluoranyl)-10-(trifluoromethyl)undecyl]oxirane
MOLECULAR FORMULA: C14H5F23O
MOLECULAR WEIGHT: 626.152174
SMILES: C1C(O1)CC(C(C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Structure:
CAS RN: 88010-92-8
CAS Name: benzoic acid [5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-3,4-dibenzoyloxy-2-oxolanyl]methyl ester
OPENEYE Name: [5-(2-amino-6-thioxo-3H-purin-9-yl)-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methyl benzoate
IUPAC Name: [5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate
SYSTEMATIC NAME: [5-(2-azanyl-6-sulfanylidene-3H-purin-9-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate
MOLECULAR FORMULA: C31H25N5O7S
MOLECULAR WEIGHT: 611.6245
SMILES: C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=NC4=C3NC(=NC4=S)N)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6
Structure:
CAS RN: 20789-67-7
CAS Name: 2-amino-9-[3-hydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-3H-purine-6-thione
OPENEYE Name: 2-amino-9-[3-hydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-3H-purine-6-thione
IUPAC Name: 2-amino-9-[3-hydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-3H-purine-6-thione
SYSTEMATIC NAME: 2-azanyl-9-[2-(hydroxymethyl)-3-oxidanyl-3,6-dihydro-2H-pyran-6-yl]-3H-purine-6-thione
MOLECULAR FORMULA: C11H13N5O3S
MOLECULAR WEIGHT: 295.31762
SMILES: C1=CC(OC(C1O)CO)N2C=NC3=C2NC(=NC3=S)N
Structure:
CAS RN: 80963-36-6
CAS Name: 2-bromo-3-methyl-1-cyclopent-2-enone
OPENEYE Name: 2-bromo-3-methyl-cyclopent-2-en-1-one
IUPAC Name: 2-bromo-3-methylcyclopent-2-en-1-one
SYSTEMATIC NAME: 2-bromanyl-3-methyl-cyclopent-2-en-1-one
MOLECULAR FORMULA: C6H7BrO
MOLECULAR WEIGHT: 175.02318
SMILES: CC1=C(C(=O)CC1)Br
Structure:
CAS RN: 6063-33-8
CAS Name: 2,4-bis(phenylmethyl)-1,2,4-triazine-3,5-dione
OPENEYE Name: 2,4-dibenzyl-1,2,4-triazine-3,5-dione
IUPAC Name: 2,4-dibenzyl-1,2,4-triazine-3,5-dione
SYSTEMATIC NAME: 2,4-bis(phenylmethyl)-1,2,4-triazine-3,5-dione
MOLECULAR FORMULA: C17H15N3O2
MOLECULAR WEIGHT: 293.3199
SMILES: C1=CC=C(C=C1)CN2C(=O)C=NN(C2=O)CC3=CC=CC=C3
Structure:
CAS RN: 421567-49-9
CAS Name: 2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetate
OPENEYE Name: 2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate
IUPAC Name: 2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate
SYSTEMATIC NAME: 2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate
MOLECULAR FORMULA: C11H11N4O2S-
MOLECULAR WEIGHT: 263.29564
SMILES: CN1C(=NN=C1SCC(=O)[O-])C2=CC=C(C=C2)N
Structure:
CAS RN: 72676-55-2
CAS Name: 5-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)disulfanyl]-3H-1,3,4-thiadiazole-2-thione
OPENEYE Name: 5-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)disulfanyl]-3H-1,3,4-thiadiazole-2-thione
IUPAC Name: 5-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)disulfanyl]-3H-1,3,4-thiadiazole-2-thione
SYSTEMATIC NAME: 5-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)disulfanyl]-3H-1,3,4-thiadiazole-2-thione
MOLECULAR FORMULA: C4H2N4S6
MOLECULAR WEIGHT: 298.47548
SMILES: C1(=S)NN=C(S1)SSC2=NNC(=S)S2
Structure:
CAS RN: 22265-36-7
CAS Name: 4-bromobenzenecarboximidamide
OPENEYE Name: 4-bromobenzamidine
IUPAC Name: 4-bromobenzenecarboximidamide
SYSTEMATIC NAME: 4-bromanylbenzenecarboximidamide
MOLECULAR FORMULA: C7H7BrN2
MOLECULAR WEIGHT: 199.04788
SMILES: C1=CC(=CC=C1C(=N)N)Br
Structure:
CAS RN: 141642-82-2
CAS Name: 5-oxoazepane-1,4-dicarboxylic acid O1-tert-butyl ester O4-ethyl ester
OPENEYE Name: O1-tert-butyl O4-ethyl 5-oxoazepane-1,4-dicarboxylate
IUPAC Name: 1-O-tert-butyl 4-O-ethyl 5-oxoazepane-1,4-dicarboxylate
SYSTEMATIC NAME: O1-tert-butyl O4-ethyl 5-oxidanylideneazepane-1,4-dicarboxylate
MOLECULAR FORMULA: C14H23NO5
MOLECULAR WEIGHT: 285.33612
SMILES: CCOC(=O)C1CCN(CCC1=O)C(=O)OC(C)(C)C
Structure:
CAS RN: 218278-45-6
CAS Name: 3-amino-N-(3-bromopropyl)benzenesulfonamide
OPENEYE Name: 3-amino-N-(3-bromopropyl)benzenesulfonamide
IUPAC Name: 3-amino-N-(3-bromopropyl)benzenesulfonamide
SYSTEMATIC NAME: 3-azanyl-N-(3-bromanylpropyl)benzenesulfonamide
MOLECULAR FORMULA: C9H13BrN2O2S
MOLECULAR WEIGHT: 293.18072
SMILES: C1=CC(=CC(=C1)S(=O)(=O)NCCCBr)N
Structure:
CAS RN: 5398-30-1
CAS Name: 1-(2-methyl-4-oxopentan-2-yl)-3-phenylthiourea
OPENEYE Name: 1-(1,1-dimethyl-3-oxo-butyl)-3-phenyl-thiourea
IUPAC Name: 1-(2-methyl-4-oxopentan-2-yl)-3-phenylthiourea
SYSTEMATIC NAME: 1-(2-methyl-4-oxidanylidene-pentan-2-yl)-3-phenyl-thiourea
MOLECULAR FORMULA: C13H18N2OS
MOLECULAR WEIGHT: 250.35982
SMILES: CC(=O)CC(C)(C)NC(=S)NC1=CC=CC=C1
Structure:
CAS RN: 91774-36-6
CAS Name: 2-acetamido-3-amino-3-sulfanylidenepropanoic acid ethyl ester
OPENEYE Name: ethyl 2-acetamido-3-amino-3-thioxo-propanoate
IUPAC Name: ethyl 2-acetamido-3-amino-3-sulfanylidenepropanoate
SYSTEMATIC NAME: ethyl 2-acetamido-3-azanyl-3-sulfanylidene-propanoate
MOLECULAR FORMULA: C7H12N2O3S
MOLECULAR WEIGHT: 204.24678
SMILES: CCOC(=O)C(C(=S)N)NC(=O)C
Structure:
CAS RN: 436099-83-1
CAS Name: 2-furanylmethyl-[(4-methylphenyl)methyl]ammonium
OPENEYE Name: 2-furylmethyl(p-tolylmethyl)ammonium
IUPAC Name: furan-2-ylmethyl-[(4-methylphenyl)methyl]azanium
SYSTEMATIC NAME: furan-2-ylmethyl-[(4-methylphenyl)methyl]azanium
MOLECULAR FORMULA: C13H16NO+
MOLECULAR WEIGHT: 202.27224
SMILES: CC1=CC=C(C=C1)C[NH2+]CC2=CC=CO2
Structure:
CAS RN: 832737-27-6
CAS Name: 5-methyl-2H-triazole-4-carboxylic acid
OPENEYE Name: 5-methyl-2H-triazole-4-carboxylic acid
IUPAC Name: 5-methyl-2H-triazole-4-carboxylic acid
SYSTEMATIC NAME: 5-methyl-2H-1,2,3-triazole-4-carboxylic acid
MOLECULAR FORMULA: C4H5N3O2
MOLECULAR WEIGHT: 127.1014
SMILES: CC1=NNN=C1C(=O)O
Structure:
CAS RN: 34329-66-3
CAS Name: N-(2-amino-2-sulfanylideneethyl)acetamide
OPENEYE Name: N-(2-amino-2-thioxo-ethyl)acetamide
IUPAC Name: N-(2-amino-2-sulfanylideneethyl)acetamide
SYSTEMATIC NAME: N-(2-azanyl-2-sulfanylidene-ethyl)ethanamide
MOLECULAR FORMULA: C4H8N2OS
MOLECULAR WEIGHT: 132.18412
SMILES: CC(=O)NCC(=S)N
Structure:
CAS RN: 732-79-6
CAS Name: [[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]thiourea
OPENEYE Name: [[4-[bis(2-chloroethyl)amino]phenyl]methyleneamino]thiourea
IUPAC Name: [[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]thiourea
SYSTEMATIC NAME: 1-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]thiourea
MOLECULAR FORMULA: C12H16Cl2N4S
MOLECULAR WEIGHT: 319.25324
SMILES: C1=CC(=CC=C1C=NNC(=S)N)N(CCCl)CCCl
Structure:
CAS RN: 5454-62-6
CAS Name: 1-butylsulfonyl-3-phenylthiourea
OPENEYE Name: 1-butylsulfonyl-3-phenyl-thiourea
IUPAC Name: 1-butylsulfonyl-3-phenylthiourea
SYSTEMATIC NAME: 1-butylsulfonyl-3-phenyl-thiourea
MOLECULAR FORMULA: C11H16N2O2S2
MOLECULAR WEIGHT: 272.38694
SMILES: CCCCS(=O)(=O)NC(=S)NC1=CC=CC=C1
Structure:
CAS RN: 22508-97-0
CAS Name: 1-(1,3-benzodioxol-5-ylmethylideneamino)-3-(1H-indazol-6-yl)thiourea
OPENEYE Name: 1-(1,3-benzodioxol-5-ylmethyleneamino)-3-(1H-indazol-6-yl)thiourea
IUPAC Name: 1-(1,3-benzodioxol-5-ylmethylideneamino)-3-(1H-indazol-6-yl)thiourea
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-ylmethylideneamino)-3-(1H-indazol-6-yl)thiourea
MOLECULAR FORMULA: C16H13N5O2S
MOLECULAR WEIGHT: 339.37172
SMILES: C1OC2=C(O1)C=C(C=C2)C=NNC(=S)NC3=CC4=C(C=C3)C=NN4
Structure:
CAS RN: 86499-35-6
CAS Name: 3-amino-1,3,4,5-tetrahydro-1-benzazepin-2-one
OPENEYE Name: 3-amino-1,3,4,5-tetrahydro-1-benzazepin-2-one
IUPAC Name: 3-amino-1,3,4,5-tetrahydro-1-benzazepin-2-one
SYSTEMATIC NAME: 3-azanyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
MOLECULAR FORMULA: C10H12N2O
MOLECULAR WEIGHT: 176.21508
SMILES: C1CC2=CC=CC=C2NC(=O)C1N
Structure:
CAS RN: 5006-55-3
CAS Name: 6-methyl-2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione
OPENEYE Name: 6-methyl-2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione
IUPAC Name: 6-methyl-2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione
SYSTEMATIC NAME: 6-methyl-2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione
MOLECULAR FORMULA: C7H7N3S
MOLECULAR WEIGHT: 165.21558
SMILES: CC1=CN2C(=NNC2=S)C=C1
Structure:
CAS RN: 103213-38-3
CAS Name: 2-[[2-[(2-amino-1-oxoethyl)amino]-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid
OPENEYE Name: 2-[[2-[(2-aminoacetyl)amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid
IUPAC Name: 2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
SYSTEMATIC NAME: 2-[[2-(2-azanylethanoylamino)-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid
MOLECULAR FORMULA: C17H25N3O4
MOLECULAR WEIGHT: 335.3981
SMILES: CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)CN
Structure:
CAS RN: 27587-87-7
CAS Name: 1-methyl-3-(4-methylanilino)thiourea
OPENEYE Name: 1-methyl-3-(4-methylanilino)thiourea
IUPAC Name: 1-methyl-3-(4-methylanilino)thiourea
SYSTEMATIC NAME: 1-methyl-3-[(4-methylphenyl)amino]thiourea
MOLECULAR FORMULA: C9H13N3S
MOLECULAR WEIGHT: 195.28462
SMILES: CC1=CC=C(C=C1)NNC(=S)NC
Structure:
CAS RN: 68967-41-9
CAS Name: 5-[[[[2-furanyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-2-furancarboxylic acid ethyl ester
OPENEYE Name: ethyl 5-(furan-2-carbonylcarbamothioylamino)furan-2-carboxylate
IUPAC Name: ethyl 5-(furan-2-carbonylcarbamothioylamino)furan-2-carboxylate
SYSTEMATIC NAME: ethyl 5-(furan-2-ylcarbonylcarbamothioylamino)furan-2-carboxylate
MOLECULAR FORMULA: C13H12N2O5S
MOLECULAR WEIGHT: 308.30978
SMILES: CCOC(=O)C1=CC=C(O1)NC(=S)NC(=O)C2=CC=CO2
Structure:
CAS RN: 3438-86-6
CAS Name: 7-[(3,4-dichlorophenyl)methylthio]-5,6-dihydroimidazo[4,5-d]pyridazine-4-thione
OPENEYE Name: 7-[(3,4-dichlorophenyl)methylsulfanyl]-5,6-dihydroimidazo[4,5-d]pyridazine-4-thione
IUPAC Name: 7-[(3,4-dichlorophenyl)methylsulfanyl]-5,6-dihydroimidazo[4,5-d]pyridazine-4-thione
SYSTEMATIC NAME: 7-[(3,4-dichlorophenyl)methylsulfanyl]-5,6-dihydroimidazo[4,5-d]pyridazine-4-thione
MOLECULAR FORMULA: C12H8Cl2N4S2
MOLECULAR WEIGHT: 343.25472
SMILES: C1=CC(=C(C=C1CSC2=C3C(=NC=N3)C(=S)NN2)Cl)Cl
Structure:
CAS RN: 62087-72-3
CAS Name: 2-[[[1-[2-[[2-[(2-amino-3-carboxy-1-oxopropyl)amino]-3-hydroxy-1-oxopropyl]amino]-3-carboxy-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-(diaminomethylideneamino)pentanoic acid
OPENEYE Name: 2-[[1-[2-[[2-[(2-amino-3-carboxy-propanoyl)amino]-3-hydroxy-propanoyl]amino]-3-carboxy-propanoyl]pyrrolidine-2-carbonyl]amino]-5-guanidino-pentanoic acid
IUPAC Name: 2-[[1-[2-[[2-[(2-amino-3-carboxypropanoyl)amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
SYSTEMATIC NAME: 2-[[1-[2-[[2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]-3-oxidanyl-propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoic acid
MOLECULAR FORMULA: C22H36N8O11
MOLECULAR WEIGHT: 588.56824
SMILES: C1CC(N(C1)C(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CC(=O)O)N)C(=O)NC(CCCN=C(N)N)C(=O)O
Structure:
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