CAS RN: 135669-45-3
CAS Name: 9-(5-methyl-2-oxolanyl)-3H-purine-6-thione
OPENEYE Name: 9-(5-methyltetrahydrofuran-2-yl)-3H-purine-6-thione
IUPAC Name: 9-(5-methyloxolan-2-yl)-3H-purine-6-thione
SYSTEMATIC NAME: 9-(5-methyloxolan-2-yl)-3H-purine-6-thione
MOLECULAR FORMULA: C10H12N4OS
MOLECULAR WEIGHT: 236.29348
SMILES: CC1CCC(O1)N2C=NC3=C2NC=NC3=S
Structure:
CAS RN: 40297-58-3
CAS Name: 9-(5-methyl-2-oxolanyl)-3H-purine-6-thione
OPENEYE Name: 9-(5-methyltetrahydrofuran-2-yl)-3H-purine-6-thione
IUPAC Name: 9-(5-methyloxolan-2-yl)-3H-purine-6-thione
SYSTEMATIC NAME: 9-(5-methyloxolan-2-yl)-3H-purine-6-thione
MOLECULAR FORMULA: C10H12N4OS
MOLECULAR WEIGHT: 236.29348
SMILES: CC1CCC(O1)N2C=NC3=C2NC=NC3=S
Structure:
CAS RN: 7472-34-6
CAS Name: N-but-3-en-2-ylethanethioamide
OPENEYE Name: N-(1-methylallyl)thioacetamide
IUPAC Name: N-but-3-en-2-ylethanethioamide
SYSTEMATIC NAME: N-but-3-en-2-ylethanethioamide
MOLECULAR FORMULA: C6H11NS
MOLECULAR WEIGHT: 129.22324
SMILES: CC(C=C)NC(=S)C
Structure:
CAS RN: 17425-17-1
CAS Name: N-(2-methylphenyl)carbamodithioic acid methyl ester
OPENEYE Name: methyl N-(o-tolyl)carbamodithioate
IUPAC Name: methyl N-(2-methylphenyl)carbamodithioate
SYSTEMATIC NAME: methyl N-(2-methylphenyl)carbamodithioate
MOLECULAR FORMULA: C9H11NS2
MOLECULAR WEIGHT: 197.32034
SMILES: CC1=CC=CC=C1NC(=S)SC
Structure:
CAS RN: 13223-25-1
CAS Name: 2-chloro-4,6-dimethoxypyrimidine
OPENEYE Name: 2-chloro-4,6-dimethoxy-pyrimidine
IUPAC Name: 2-chloro-4,6-dimethoxypyrimidine
SYSTEMATIC NAME: 2-chloranyl-4,6-dimethoxy-pyrimidine
MOLECULAR FORMULA: C6H7ClN2O2
MOLECULAR WEIGHT: 174.58498
SMILES: COC1=CC(=NC(=N1)Cl)OC
Structure:
CAS RN: 135322-16-6
CAS Name: 1-carbamimidoyl-4-piperidinecarboxylic acid
OPENEYE Name: 1-carbamimidoylpiperidine-4-carboxylic acid
IUPAC Name: 1-carbamimidoylpiperidine-4-carboxylic acid
SYSTEMATIC NAME: 1-carbamimidoylpiperidine-4-carboxylic acid
MOLECULAR FORMULA: C7H13N3O2
MOLECULAR WEIGHT: 171.19702
SMILES: C1CN(CCC1C(=O)O)C(=N)N
Structure:
CAS RN: 14173-41-2
CAS Name: 2-amino-3-(4-iodophenyl)propanoic acid
OPENEYE Name: 2-amino-3-(4-iodophenyl)propanoic acid
IUPAC Name: 2-amino-3-(4-iodophenyl)propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-(4-iodophenyl)propanoic acid
MOLECULAR FORMULA: C9H10INO2
MOLECULAR WEIGHT: 291.08567
SMILES: C1=CC(=CC=C1CC(C(=O)O)N)I
Structure:
CAS RN: 2971-79-1
CAS Name: 4-piperidin-1-iumcarboxylic acid methyl ester
OPENEYE Name: methyl piperidin-1-ium-4-carboxylate
IUPAC Name: methyl piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C7H14NO2+
MOLECULAR WEIGHT: 144.19156
SMILES: COC(=O)C1CC[NH2+]CC1
Structure:
CAS RN: 15771-37-6
CAS Name: 3-(2-hydroxyethylthio)propanenitrile
OPENEYE Name: 3-(2-hydroxyethylsulfanyl)propanenitrile
IUPAC Name: 3-(2-hydroxyethylsulfanyl)propanenitrile
SYSTEMATIC NAME: 3-(2-hydroxyethylsulfanyl)propanenitrile
MOLECULAR FORMULA: C5H9NOS
MOLECULAR WEIGHT: 131.19606
SMILES: C(CSCCO)C#N
Structure:
CAS RN: 41789-95-1
CAS Name: 1-(3-methoxyphenyl)-N-methylmethanamine
OPENEYE Name: 1-(3-methoxyphenyl)-N-methyl-methanamine
IUPAC Name: 1-(3-methoxyphenyl)-N-methylmethanamine
SYSTEMATIC NAME: 1-(3-methoxyphenyl)-N-methyl-methanamine
MOLECULAR FORMULA: C9H13NO
MOLECULAR WEIGHT: 151.20562
SMILES: CNCC1=CC(=CC=C1)OC
Structure:
CAS RN: 5410-19-5
CAS Name: 1-dodecyl-2-imidazolidinethione
OPENEYE Name: 1-dodecylimidazolidine-2-thione
IUPAC Name: 1-dodecylimidazolidine-2-thione
SYSTEMATIC NAME: 1-dodecylimidazolidine-2-thione
MOLECULAR FORMULA: C15H30N2S
MOLECULAR WEIGHT: 270.4771
SMILES: CCCCCCCCCCCCN1CCNC1=S
Structure:
CAS RN: 33252-28-7
CAS Name: 6-chloro-3-pyridinecarbonitrile
OPENEYE Name: 6-chloropyridine-3-carbonitrile
IUPAC Name: 6-chloropyridine-3-carbonitrile
SYSTEMATIC NAME: 6-chloranylpyridine-3-carbonitrile
MOLECULAR FORMULA: C6H3ClN2
MOLECULAR WEIGHT: 138.55442
SMILES: C1=CC(=NC=C1C#N)Cl
Structure:
CAS RN: 393-85-1
CAS Name: 5-fluoro-2-nitrobenzoic acid methyl ester
OPENEYE Name: methyl 5-fluoro-2-nitro-benzoate
IUPAC Name: methyl 5-fluoro-2-nitrobenzoate
SYSTEMATIC NAME: methyl 5-fluoranyl-2-nitro-benzoate
MOLECULAR FORMULA: C8H6FNO4
MOLECULAR WEIGHT: 199.135943
SMILES: COC(=O)C1=C(C=CC(=C1)F)[N+](=O)[O-]
Structure:
CAS RN: 6430-76-8
CAS Name: 1-dodecyl-3-methylthiourea
OPENEYE Name: 1-dodecyl-3-methyl-thiourea
IUPAC Name: 1-dodecyl-3-methylthiourea
SYSTEMATIC NAME: 1-dodecyl-3-methyl-thiourea
MOLECULAR FORMULA: C14H30N2S
MOLECULAR WEIGHT: 258.4664
SMILES: CCCCCCCCCCCCNC(=S)NC
Structure:
CAS RN: 458532-96-2
CAS Name: (2-chloro-4-pyridinyl)boronic acid
OPENEYE Name: (2-chloro-4-pyridyl)boronic acid
IUPAC Name: (2-chloropyridin-4-yl)boronic acid
SYSTEMATIC NAME: (2-chloranylpyridin-4-yl)boronic acid
MOLECULAR FORMULA: C5H5BClNO2
MOLECULAR WEIGHT: 157.3627
SMILES: B(C1=CC(=NC=C1)Cl)(O)O
Structure:
CAS RN: 6634-45-3
CAS Name: [[methylamino(sulfanylidene)methyl]amino]urea
OPENEYE Name: (methylcarbamothioylamino)urea
IUPAC Name: (methylcarbamothioylamino)urea
SYSTEMATIC NAME: 1-(methylcarbamothioylamino)urea
MOLECULAR FORMULA: C3H8N4OS
MOLECULAR WEIGHT: 148.18682
SMILES: CNC(=S)NNC(=O)N
Structure:
CAS RN: 24155-33-7
CAS Name: 1-(4-fluorophenyl)-2-(1-imidazolyl)ethanone
OPENEYE Name: 1-(4-fluorophenyl)-2-imidazol-1-yl-ethanone
IUPAC Name: 1-(4-fluorophenyl)-2-imidazol-1-ylethanone
SYSTEMATIC NAME: 1-(4-fluorophenyl)-2-imidazol-1-yl-ethanone
MOLECULAR FORMULA: C11H9FN2O
MOLECULAR WEIGHT: 204.200363
SMILES: C1=CC(=CC=C1C(=O)CN2C=CN=C2)F
Structure:
CAS RN: 56542-68-8
CAS Name: 3-sulfamoylbenzenecarbothioamide
OPENEYE Name: 3-sulfamoylbenzenecarbothioamide
IUPAC Name: 3-sulfamoylbenzenecarbothioamide
SYSTEMATIC NAME: 3-sulfamoylbenzenecarbothioamide
MOLECULAR FORMULA: C7H8N2O2S2
MOLECULAR WEIGHT: 216.28062
SMILES: C1=CC(=CC(=C1)S(=O)(=O)N)C(=S)N
Structure:
CAS RN: 90931-33-2
CAS Name: 2-chloro-N-(5-chloro-2-pyridinyl)acetamide
OPENEYE Name: 2-chloro-N-(5-chloro-2-pyridyl)acetamide
IUPAC Name: 2-chloro-N-(5-chloropyridin-2-yl)acetamide
SYSTEMATIC NAME: 2-chloranyl-N-(5-chloranylpyridin-2-yl)ethanamide
MOLECULAR FORMULA: C7H6Cl2N2O
MOLECULAR WEIGHT: 205.04134
SMILES: C1=CC(=NC=C1Cl)NC(=O)CCl
Structure:
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