CAS RN: 24570-39-6
CAS Name: 2-[[2-[(2,6-diacetamido-1-oxohexyl)amino]-1-oxopropyl]amino]propanoic acid
OPENEYE Name: 2-[2-(2,6-diacetamidohexanoylamino)propanoylamino]propanoic acid
IUPAC Name: 2-[2-(2,6-diacetamidohexanoylamino)propanoylamino]propanoic acid
SYSTEMATIC NAME: 2-[2-(2,6-diacetamidohexanoylamino)propanoylamino]propanoic acid
MOLECULAR FORMULA: C16H28N4O6
MOLECULAR WEIGHT: 372.41672
SMILES: CC(C(=O)NC(C)C(=O)O)NC(=O)C(CCCCNC(=O)C)NC(=O)C
Structure:
CAS RN: 6223-60-5
CAS Name: 2,9-diethyl-3H-purine-6-thione
OPENEYE Name: 2,9-diethyl-3H-purine-6-thione
IUPAC Name: 2,9-diethyl-3H-purine-6-thione
SYSTEMATIC NAME: 2,9-diethyl-3H-purine-6-thione
MOLECULAR FORMULA: C9H12N4S
MOLECULAR WEIGHT: 208.28338
SMILES: CCC1=NC(=S)C2=C(N1)N(C=N2)CC
Structure:
CAS RN: 91724-42-4
CAS Name: 6-(2-chloroethylthio)-7H-purine
OPENEYE Name: 6-(2-chloroethylsulfanyl)-7H-purine
IUPAC Name: 6-(2-chloroethylsulfanyl)-7H-purine
SYSTEMATIC NAME: 6-(2-chloroethylsulfanyl)-7H-purine
MOLECULAR FORMULA: C7H7ClN4S
MOLECULAR WEIGHT: 214.67528
SMILES: C1=NC2=C(N1)C(=NC=N2)SCCCl
Structure:
CAS RN: 350998-01-5
CAS Name: 2-amino-5-methyl-3-thiophenecarboxylic acid propan-2-yl ester
OPENEYE Name: isopropyl 2-amino-5-methyl-thiophene-3-carboxylate
IUPAC Name: propan-2-yl 2-amino-5-methylthiophene-3-carboxylate
SYSTEMATIC NAME: propan-2-yl 2-azanyl-5-methyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C9H13NO2S
MOLECULAR WEIGHT: 199.27002
SMILES: CC1=CC(=C(S1)N)C(=O)OC(C)C
Structure:
CAS RN: 14292-44-5
CAS Name: 5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-amine
OPENEYE Name: 5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-amine
IUPAC Name: 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine
SYSTEMATIC NAME: 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine
MOLECULAR FORMULA: C8H12N2S
MOLECULAR WEIGHT: 168.25928
SMILES: C1CCC2=C(CC1)SC(=N2)N
Structure:
CAS RN: 284040-71-7
CAS Name: 2-[(5-bromo-3-pyridinyl)oxy]ethanol
OPENEYE Name: 2-[(5-bromo-3-pyridyl)oxy]ethanol
IUPAC Name: 2-(5-bromopyridin-3-yl)oxyethanol
SYSTEMATIC NAME: 2-(5-bromanylpyridin-3-yl)oxyethanol
MOLECULAR FORMULA: C7H8BrNO2
MOLECULAR WEIGHT: 218.04792
SMILES: C1=C(C=NC=C1Br)OCCO
Structure:
CAS RN: 215305-98-9
CAS Name: N-[2-(3-piperidinyl)ethyl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[2-(3-piperidyl)ethyl]carbamate
IUPAC Name: tert-butyl N-(2-piperidin-3-ylethyl)carbamate
SYSTEMATIC NAME: tert-butyl N-(2-piperidin-3-ylethyl)carbamate
MOLECULAR FORMULA: C12H24N2O2
MOLECULAR WEIGHT: 228.33116
SMILES: CC(C)(C)OC(=O)NCCC1CCCNC1
Structure:
CAS RN: 23818-41-9
CAS Name: 2-amino-4-nitro-5H-phenanthridin-6-one
OPENEYE Name: 2-amino-4-nitro-5H-phenanthridin-6-one
IUPAC Name: 2-amino-4-nitro-5H-phenanthridin-6-one
SYSTEMATIC NAME: 2-azanyl-4-nitro-5H-phenanthridin-6-one
MOLECULAR FORMULA: C13H9N3O3
MOLECULAR WEIGHT: 255.22886
SMILES: C1=CC=C2C(=C1)C3=CC(=CC(=C3NC2=O)[N+](=O)[O-])N
Structure:
CAS RN: 70952-07-7
CAS Name: [[3-[(carbamothioylhydrazinylidene)methyl]-2-chloro-1-ethyl-5-indolyl]methylideneamino]thiourea
OPENEYE Name: [[3-[(carbamothioylhydrazono)methyl]-2-chloro-1-ethyl-indol-5-yl]methyleneamino]thiourea
IUPAC Name: [[3-[(carbamothioylhydrazinylidene)methyl]-2-chloro-1-ethylindol-5-yl]methylideneamino]thiourea
SYSTEMATIC NAME: 1-[[3-[(carbamothioylhydrazinylidene)methyl]-2-chloranyl-1-ethyl-indol-5-yl]methylideneamino]thiourea
MOLECULAR FORMULA: C14H16ClN7S2
MOLECULAR WEIGHT: 381.90674
SMILES: CCN1C2=C(C=C(C=C2)C=NNC(=S)N)C(=C1Cl)C=NNC(=S)N
Structure:
CAS RN: 70952-08-8
CAS Name: [[3-[(carbamothioylhydrazinylidene)methyl]-2-chloro-1-ethyl-7-indolyl]methylideneamino]thiourea
OPENEYE Name: [[3-[(carbamothioylhydrazono)methyl]-2-chloro-1-ethyl-indol-7-yl]methyleneamino]thiourea
IUPAC Name: [[3-[(carbamothioylhydrazinylidene)methyl]-2-chloro-1-ethylindol-7-yl]methylideneamino]thiourea
SYSTEMATIC NAME: 1-[[3-[(carbamothioylhydrazinylidene)methyl]-2-chloranyl-1-ethyl-indol-7-yl]methylideneamino]thiourea
MOLECULAR FORMULA: C14H16ClN7S2
MOLECULAR WEIGHT: 381.90674
SMILES: CCN1C2=C(C=CC=C2C=NNC(=S)N)C(=C1Cl)C=NNC(=S)N
Structure:
CAS RN: 112434-78-3
CAS Name: 4-(2,5-diethoxyphenyl)-2-thiazolamine
OPENEYE Name: 4-(2,5-diethoxyphenyl)thiazol-2-amine
IUPAC Name: 4-(2,5-diethoxyphenyl)-1,3-thiazol-2-amine
SYSTEMATIC NAME: 4-(2,5-diethoxyphenyl)-1,3-thiazol-2-amine
MOLECULAR FORMULA: C13H16N2O2S
MOLECULAR WEIGHT: 264.34334
SMILES: CCOC1=CC(=C(C=C1)OCC)C2=CSC(=N2)N
Structure:
CAS RN: 33951-45-0
CAS Name: 1-[anilino(sulfanylidene)methyl]-3-phenylthiourea
OPENEYE Name: 1-phenyl-3-(phenylcarbamothioyl)thiourea
IUPAC Name: 1-phenyl-3-(phenylcarbamothioyl)thiourea
SYSTEMATIC NAME: 1-phenyl-3-(phenylcarbamothioyl)thiourea
MOLECULAR FORMULA: C14H13N3S2
MOLECULAR WEIGHT: 287.40312
SMILES: C1=CC=C(C=C1)NC(=S)NC(=S)NC2=CC=CC=C2
Structure:
CAS RN: 2078-93-5
CAS Name: 1-anilino-3-(1-naphthalenyl)thiourea
OPENEYE Name: 1-anilino-3-(1-naphthyl)thiourea
IUPAC Name: 1-anilino-3-naphthalen-1-ylthiourea
SYSTEMATIC NAME: 1-naphthalen-1-yl-3-phenylazanyl-thiourea
MOLECULAR FORMULA: C17H15N3S
MOLECULAR WEIGHT: 293.3861
SMILES: C1=CC=C(C=C1)NNC(=S)NC2=CC=CC3=CC=CC=C32
Structure:
CAS RN: 86685-98-5
CAS Name: 3-(4-methoxyphenyl)-5-isoxazolamine
OPENEYE Name: 3-(4-methoxyphenyl)isoxazol-5-amine
IUPAC Name: 3-(4-methoxyphenyl)-1,2-oxazol-5-amine
SYSTEMATIC NAME: 3-(4-methoxyphenyl)-1,2-oxazol-5-amine
MOLECULAR FORMULA: C10H10N2O2
MOLECULAR WEIGHT: 190.1986
SMILES: COC1=CC=C(C=C1)C2=NOC(=C2)N
Structure:
CAS RN: 22497-49-0
CAS Name: 1-(1H-indazol-6-yl)-3-[(4-nitrophenyl)methylideneamino]thiourea
OPENEYE Name: 1-(1H-indazol-6-yl)-3-[(4-nitrophenyl)methyleneamino]thiourea
IUPAC Name: 1-(1H-indazol-6-yl)-3-[(4-nitrophenyl)methylideneamino]thiourea
SYSTEMATIC NAME: 1-(1H-indazol-6-yl)-3-[(4-nitrophenyl)methylideneamino]thiourea
MOLECULAR FORMULA: C15H12N6O2S
MOLECULAR WEIGHT: 340.35978
SMILES: C1=CC(=CC=C1C=NNC(=S)NC2=CC3=C(C=C2)C=NN3)[N+](=O)[O-]
Structure:
CAS RN: 6505-99-3
CAS Name: 1,3-dimethyl-8-[2-(4-morpholinyl)ethylthio]-6-sulfanylidene-7H-purin-2-one
OPENEYE Name: 1,3-dimethyl-8-(2-morpholinoethylsulfanyl)-6-thioxo-7H-purin-2-one
IUPAC Name: 1,3-dimethyl-8-(2-morpholin-4-ylethylsulfanyl)-6-sulfanylidene-7H-purin-2-one
SYSTEMATIC NAME: 1,3-dimethyl-8-(2-morpholin-4-ylethylsulfanyl)-6-sulfanylidene-7H-purin-2-one
MOLECULAR FORMULA: C13H19N5O2S2
MOLECULAR WEIGHT: 341.45226
SMILES: CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SCCN3CCOCC3
Structure:
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