CAS RN: 69045-79-0
CAS Name: 2-chloro-5-iodopyridine
OPENEYE Name: 2-chloro-5-iodo-pyridine
IUPAC Name: 2-chloro-5-iodopyridine
SYSTEMATIC NAME: 2-chloranyl-5-iodanyl-pyridine
MOLECULAR FORMULA: C5H3ClIN
MOLECULAR WEIGHT: 239.44149
SMILES: C1=CC(=NC=C1I)Cl
Structure:
CAS RN: 93898-38-5
CAS Name: 5-(3-anilinopropyl)-6-methyl-1H-pyrimidine-4-thione
OPENEYE Name: 5-(3-anilinopropyl)-6-methyl-1H-pyrimidine-4-thione
IUPAC Name: 5-(3-anilinopropyl)-6-methyl-1H-pyrimidine-4-thione
SYSTEMATIC NAME: 6-methyl-5-(3-phenylazanylpropyl)-1H-pyrimidine-4-thione
MOLECULAR FORMULA: C14H17N3S
MOLECULAR WEIGHT: 259.36988
SMILES: CC1=C(C(=S)N=CN1)CCCNC2=CC=CC=C2
Structure:
CAS RN: 65609-02-1
CAS Name: 1-[(3,4-dichlorophenyl)methyl]-3-phenylthiourea
OPENEYE Name: 1-[(3,4-dichlorophenyl)methyl]-3-phenyl-thiourea
IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]-3-phenylthiourea
SYSTEMATIC NAME: 1-[(3,4-dichlorophenyl)methyl]-3-phenyl-thiourea
MOLECULAR FORMULA: C14H12Cl2N2S
MOLECULAR WEIGHT: 311.22948
SMILES: C1=CC=C(C=C1)NC(=S)NCC2=CC(=C(C=C2)Cl)Cl
Structure:
CAS RN: 24414-54-8
CAS Name: 5-bromo-7-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1H-pyrrolo[2,3-d]pyrimidine-4-thione
OPENEYE Name: 5-bromo-7-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-pyrrolo[2,3-d]pyrimidine-4-thione
IUPAC Name: 5-bromo-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrrolo[2,3-d]pyrimidine-4-thione
SYSTEMATIC NAME: 5-bromanyl-7-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1H-pyrrolo[2,3-d]pyrimidine-4-thione
MOLECULAR FORMULA: C11H12BrN3O4S
MOLECULAR WEIGHT: 362.19968
SMILES: C1=C(C2=C(N1C3C(C(C(O3)CO)O)O)NC=NC2=S)Br
Structure:
CAS RN: 21794-54-7
CAS Name: 6-chloro-N4-(4-nitrophenyl)pyrimidine-4,5-diamine
OPENEYE Name: 6-chloro-N4-(4-nitrophenyl)pyrimidine-4,5-diamine
IUPAC Name: 6-chloro-4-N-(4-nitrophenyl)pyrimidine-4,5-diamine
SYSTEMATIC NAME: 6-chloranyl-N4-(4-nitrophenyl)pyrimidine-4,5-diamine
MOLECULAR FORMULA: C10H8ClN5O2
MOLECULAR WEIGHT: 265.65582
SMILES: C1=CC(=CC=C1NC2=C(C(=NC=N2)Cl)N)[N+](=O)[O-]
Structure:
CAS RN: 20128-28-3
CAS Name: N4-(4-nitrophenyl)pyrimidine-4,5,6-triamine
OPENEYE Name: N4-(4-nitrophenyl)pyrimidine-4,5,6-triamine
IUPAC Name: 4-N-(4-nitrophenyl)pyrimidine-4,5,6-triamine
SYSTEMATIC NAME: N4-(4-nitrophenyl)pyrimidine-4,5,6-triamine
MOLECULAR FORMULA: C10H10N6O2
MOLECULAR WEIGHT: 246.2254
SMILES: C1=CC(=CC=C1NC2=NC=NC(=C2N)N)[N+](=O)[O-]
Structure:
CAS RN: 5396-21-4
CAS Name: 2-methyl-1-[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)oxy]-2-propanamine
OPENEYE Name: 2-methyl-1-(1,7,7-trimethylnorbornan-2-yl)oxy-propan-2-amine
IUPAC Name: 2-methyl-1-[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)oxy]propan-2-amine
SYSTEMATIC NAME: 2-methyl-1-[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)oxy]propan-2-amine
MOLECULAR FORMULA: C14H27NO
MOLECULAR WEIGHT: 225.37028
SMILES: CC1(C2CCC1(C(C2)OCC(C)(C)N)C)C
Structure:
CAS RN: 6954-18-3
CAS Name: 1-methyl-N-phenyl-3-indolecarbothioamide
OPENEYE Name: 1-methyl-N-phenyl-indole-3-carbothioamide
IUPAC Name: 1-methyl-N-phenylindole-3-carbothioamide
SYSTEMATIC NAME: 1-methyl-N-phenyl-indole-3-carbothioamide
MOLECULAR FORMULA: C16H14N2S
MOLECULAR WEIGHT: 266.36076
SMILES: CN1C=C(C2=CC=CC=C21)C(=S)NC3=CC=CC=C3
Structure:
CAS RN: 569-58-4
CAS Name: 5-[(3-carboxylato-4-hydroxyphenyl)-(3-carboxylato-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2-hydroxybenzoate
OPENEYE Name: 5-[(3-carboxylato-4-hydroxy-phenyl)-(3-carboxylato-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxy-benzoate
IUPAC Name: 5-[(3-carboxylato-4-hydroxyphenyl)-(3-carboxylato-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxybenzoate
SYSTEMATIC NAME: 5-[(3-carboxylato-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-(3-carboxylato-4-oxidanyl-phenyl)methyl]-2-oxidanyl-benzoate
MOLECULAR FORMULA: C22H11O9-3
MOLECULAR WEIGHT: 419.31734
SMILES: C1=CC(=C(C=C1C(=C2C=CC(=O)C(=C2)C(=O)[O-])C3=CC(=C(C=C3)O)C(=O)[O-])C(=O)[O-])O
Structure:
CAS RN: 29195-33-3
CAS Name: 1-propyl-3-[5-[[propylamino(sulfanylidene)methyl]hydrazinylidene]hexan-2-ylideneamino]thiourea
OPENEYE Name: 1-[[1-methyl-4-(propylcarbamothioylhydrazono)pentylidene]amino]-3-propyl-thiourea
IUPAC Name: 1-propyl-3-[5-(propylcarbamothioylhydrazinylidene)hexan-2-ylideneamino]thiourea
SYSTEMATIC NAME: 1-propyl-3-[5-(propylcarbamothioylhydrazinylidene)hexan-2-ylideneamino]thiourea
MOLECULAR FORMULA: C14H28N6S2
MOLECULAR WEIGHT: 344.54232
SMILES: CCCNC(=S)NN=C(C)CCC(=NNC(=S)NCCC)C
Structure:
CAS RN: 41864-22-6
CAS Name: bis(1,2,4-triazol-1-yl)methanone
OPENEYE Name: bis(1,2,4-triazol-1-yl)methanone
IUPAC Name: bis(1,2,4-triazol-1-yl)methanone
SYSTEMATIC NAME: bis(1,2,4-triazol-1-yl)methanone
MOLECULAR FORMULA: C5H4N6O
MOLECULAR WEIGHT: 164.12486
SMILES: C1=NN(C=N1)C(=O)N2C=NC=N2
Structure:
CAS RN: 57464-57-0
CAS Name: N-(4-azidobutyl)-N-[6-(methylthio)-9-purinyl]acetamide
OPENEYE Name: N-(4-azidobutyl)-N-(6-methylsulfanylpurin-9-yl)acetamide
IUPAC Name: N-(4-azidobutyl)-N-(6-methylsulfanylpurin-9-yl)acetamide
SYSTEMATIC NAME: N-(4-azidobutyl)-N-(6-methylsulfanylpurin-9-yl)ethanamide
MOLECULAR FORMULA: C12H16N8OS
MOLECULAR WEIGHT: 320.37344
SMILES: CC(=O)N(CCCCN=[N+]=[N-])N1C=NC2=C1N=CN=C2SC
Structure:
CAS RN: 6944-08-7
CAS Name: 2-amino-6-[(phenylmethyl)amino]-1H-pyrimidine-4-thione
OPENEYE Name: 2-amino-6-(benzylamino)-1H-pyrimidine-4-thione
IUPAC Name: 2-amino-6-(benzylamino)-1H-pyrimidine-4-thione
SYSTEMATIC NAME: 2-azanyl-6-[(phenylmethyl)amino]-1H-pyrimidine-4-thione
MOLECULAR FORMULA: C11H12N4S
MOLECULAR WEIGHT: 232.30478
SMILES: C1=CC=C(C=C1)CNC2=CC(=S)N=C(N2)N
Structure:
CAS RN: 68498-46-4
CAS Name: 6-[[5-bromo-2-(methylthio)-4-pyrimidinyl]thio]-7H-purin-2-amine
OPENEYE Name: 6-(5-bromo-2-methylsulfanyl-pyrimidin-4-yl)sulfanyl-7H-purin-2-amine
IUPAC Name: 6-(5-bromo-2-methylsulfanylpyrimidin-4-yl)sulfanyl-7H-purin-2-amine
SYSTEMATIC NAME: 6-(5-bromanyl-2-methylsulfanyl-pyrimidin-4-yl)sulfanyl-7H-purin-2-amine
MOLECULAR FORMULA: C10H8BrN7S2
MOLECULAR WEIGHT: 370.25142
SMILES: CSC1=NC=C(C(=N1)SC2=NC(=NC3=C2NC=N3)N)Br
Structure:
CAS RN: 132549-43-0
CAS Name: 5-methyl-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid
OPENEYE Name: 3-(tert-butoxycarbonylamino)-5-methyl-hexanoic acid
IUPAC Name: 5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
SYSTEMATIC NAME: 5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
MOLECULAR FORMULA: C12H23NO4
MOLECULAR WEIGHT: 245.31532
SMILES: CC(C)CC(CC(=O)O)NC(=O)OC(C)(C)C
Structure:
CAS RN: 138165-75-0
CAS Name: 5-methyl-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid
OPENEYE Name: 3-(tert-butoxycarbonylamino)-5-methyl-hexanoic acid
IUPAC Name: 5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
SYSTEMATIC NAME: 5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
MOLECULAR FORMULA: C12H23NO4
MOLECULAR WEIGHT: 245.31532
SMILES: CC(C)CC(CC(=O)O)NC(=O)OC(C)(C)C
Structure:
CAS RN: 90196-02-4
CAS Name: 2-methylsulfinyl-7H-purin-6-amine
OPENEYE Name: 2-methylsulfinyl-7H-purin-6-amine
IUPAC Name: 2-methylsulfinyl-7H-purin-6-amine
SYSTEMATIC NAME: 2-methylsulfinyl-7H-purin-6-amine
MOLECULAR FORMULA: C6H7N5OS
MOLECULAR WEIGHT: 197.21768
SMILES: CS(=O)C1=NC2=C(C(=N1)N)NC=N2
Structure:
CAS RN: 61167-35-9
CAS Name: 1-(4,4-dimethyl-1-piperazin-4-iumyl)ethanone
OPENEYE Name: 1-(4,4-dimethylpiperazin-4-ium-1-yl)ethanone
IUPAC Name: 1-(4,4-dimethylpiperazin-4-ium-1-yl)ethanone
SYSTEMATIC NAME: 1-(4,4-dimethylpiperazin-4-ium-1-yl)ethanone
MOLECULAR FORMULA: C8H17N2O+
MOLECULAR WEIGHT: 157.23338
SMILES: CC(=O)N1CC[N+](CC1)(C)C
Structure:
CAS RN: 56908-76-0
CAS Name: 3-azido-4-methyl-1H-1-benzazepine-2,5-dione
OPENEYE Name: 3-azido-4-methyl-1H-1-benzazepine-2,5-dione
IUPAC Name: 3-azido-4-methyl-1H-1-benzazepine-2,5-dione
SYSTEMATIC NAME: 3-azido-4-methyl-1H-1-benzazepine-2,5-dione
MOLECULAR FORMULA: C11H8N4O2
MOLECULAR WEIGHT: 228.20682
SMILES: CC1=C(C(=O)NC2=CC=CC=C2C1=O)N=[N+]=[N-]
Structure:
CAS RN: 56926-18-2
CAS Name: 7-ethyl-6-oxo-N-phenyl-1,3,4,8,9,9a-hexahydropyrazino[1,2-c]pyrimidine-2-carbothioamide
OPENEYE Name: 7-ethyl-6-oxo-N-phenyl-1,3,4,8,9,9a-hexahydropyrazino[1,2-c]pyrimidine-2-carbothioamide
IUPAC Name: 7-ethyl-6-oxo-N-phenyl-1,3,4,8,9,9a-hexahydropyrazino[1,2-c]pyrimidine-2-carbothioamide
SYSTEMATIC NAME: 7-ethyl-6-oxidanylidene-N-phenyl-1,3,4,8,9,9a-hexahydropyrazino[1,2-c]pyrimidine-2-carbothioamide
MOLECULAR FORMULA: C16H22N4OS
MOLECULAR WEIGHT: 318.43708
SMILES: CCN1CCC2CN(CCN2C1=O)C(=S)NC3=CC=CC=C3
Structure:
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