CAS RN: 63793-63-5
CAS Name: 1-(2-chloro-1-phenyl-3-indolyl)-2-diazonioethenolate
OPENEYE Name: 1-(2-chloro-1-phenyl-indol-3-yl)-2-diazonio-ethenolate
IUPAC Name: 1-(2-chloro-1-phenylindol-3-yl)-2-diazonioethenolate
SYSTEMATIC NAME: 1-(2-chloranyl-1-phenyl-indol-3-yl)-2-diazonio-ethenolate
MOLECULAR FORMULA: C16H10ClN3O
MOLECULAR WEIGHT: 295.7231
SMILES: C1=CC=C(C=C1)N2C3=CC=CC=C3C(=C2Cl)C(=C[N+]#N)[O-]
Structure:
CAS RN: 90973-57-2
CAS Name: 2-amino-9-cyclopentyl-3H-purine-6-thione
OPENEYE Name: 2-amino-9-cyclopentyl-3H-purine-6-thione
IUPAC Name: 2-amino-9-cyclopentyl-3H-purine-6-thione
SYSTEMATIC NAME: 2-azanyl-9-cyclopentyl-3H-purine-6-thione
MOLECULAR FORMULA: C10H13N5S
MOLECULAR WEIGHT: 235.30872
SMILES: C1CCC(C1)N2C=NC3=C2NC(=NC3=S)N
Structure:
CAS RN: 6965-59-9
CAS Name: N-carbamothioyl-2-chlorobenzamide
OPENEYE Name: N-carbamothioyl-2-chloro-benzamide
IUPAC Name: N-carbamothioyl-2-chlorobenzamide
SYSTEMATIC NAME: N-carbamothioyl-2-chloranyl-benzamide
MOLECULAR FORMULA: C8H7ClN2OS
MOLECULAR WEIGHT: 214.67198
SMILES: C1=CC=C(C(=C1)C(=O)NC(=S)N)Cl
Structure:
CAS RN: 84472-87-7
CAS Name: acetic acid [3-azido-5-(2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl ester
OPENEYE Name: [3-azido-5-(2,4-dioxopyrimidin-1-yl)tetrahydrofuran-2-yl]methyl acetate
IUPAC Name: [3-azido-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
SYSTEMATIC NAME: [3-azido-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C11H13N5O5
MOLECULAR WEIGHT: 295.25142
SMILES: CC(=O)OCC1C(CC(O1)N2C=CC(=O)NC2=O)N=[N+]=[N-]
Structure:
CAS RN: 63681-88-9
CAS Name: 5-nitroso-2-sulfanylidene-1,3-diazinane-4,6-dione
OPENEYE Name: 5-nitroso-2-thioxo-hexahydropyrimidine-4,6-dione
IUPAC Name: 5-nitroso-2-sulfanylidene-1,3-diazinane-4,6-dione
SYSTEMATIC NAME: 5-nitroso-2-sulfanylidene-1,3-diazinane-4,6-dione
MOLECULAR FORMULA: C4H3N3O3S
MOLECULAR WEIGHT: 173.14992
SMILES: C1(C(=O)NC(=S)NC1=O)N=O
Structure:
CAS RN: 6951-93-5
CAS Name: 1-dodecyl-3-prop-2-enylthiourea
OPENEYE Name: 1-allyl-3-dodecyl-thiourea
IUPAC Name: 1-dodecyl-3-prop-2-enylthiourea
SYSTEMATIC NAME: 1-dodecyl-3-prop-2-enyl-thiourea
MOLECULAR FORMULA: C16H32N2S
MOLECULAR WEIGHT: 284.50368
SMILES: CCCCCCCCCCCCNC(=S)NCC=C
Structure:
CAS RN: 5473-94-9
CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-9-oxo-1-fluorenecarboxamide
OPENEYE Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-9-oxo-fluorene-1-carboxamide
IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-9-oxofluorene-1-carboxamide
SYSTEMATIC NAME: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-9-oxidanylidene-fluorene-1-carboxamide
MOLECULAR FORMULA: C25H19N3O3
MOLECULAR WEIGHT: 409.43666
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=CC4=C3C(=O)C5=CC=CC=C45
Structure:
CAS RN: 22277-02-7
CAS Name: N-methyl-5-nitro-7H-pyrrolo[2,3-d]pyrimidin-4-amine
OPENEYE Name: N-methyl-5-nitro-7H-pyrrolo[2,3-d]pyrimidin-4-amine
IUPAC Name: N-methyl-5-nitro-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SYSTEMATIC NAME: N-methyl-5-nitro-7H-pyrrolo[2,3-d]pyrimidin-4-amine
MOLECULAR FORMULA: C7H7N5O2
MOLECULAR WEIGHT: 193.16278
SMILES: CNC1=NC=NC2=C1C(=CN2)[N+](=O)[O-]
Structure:
CAS RN: 6950-50-1
CAS Name: 1-butyl-6-methyl-4-oxo-2-sulfanylidene-5-pyrimidinecarbonitrile
OPENEYE Name: 1-butyl-6-methyl-4-oxo-2-thioxo-pyrimidine-5-carbonitrile
IUPAC Name: 1-butyl-6-methyl-4-oxo-2-sulfanylidenepyrimidine-5-carbonitrile
SYSTEMATIC NAME: 1-butyl-6-methyl-4-oxidanylidene-2-sulfanylidene-pyrimidine-5-carbonitrile
MOLECULAR FORMULA: C10H13N3OS
MOLECULAR WEIGHT: 223.29472
SMILES: CCCCN1C(=C(C(=O)NC1=S)C#N)C
Structure:
CAS RN: 32750-04-2
CAS Name: 2-(2-hydroxy-3,5-dinitrophenyl)-4,6-dinitrophenol
OPENEYE Name: 2-(2-hydroxy-3,5-dinitro-phenyl)-4,6-dinitro-phenol
IUPAC Name: 2-(2-hydroxy-3,5-dinitrophenyl)-4,6-dinitrophenol
SYSTEMATIC NAME: 2-(3,5-dinitro-2-oxidanyl-phenyl)-4,6-dinitro-phenol
MOLECULAR FORMULA: C12H6N4O10
MOLECULAR WEIGHT: 366.19684
SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)C2=CC(=CC(=C2O)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 20688-73-7
CAS Name: 7-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-sulfanylidene-3H-purin-6-one
OPENEYE Name: 7-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-thioxo-3H-purin-6-one
IUPAC Name: 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidene-3H-purin-6-one
SYSTEMATIC NAME: 7-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-sulfanylidene-3H-purin-6-one
MOLECULAR FORMULA: C10H12N4O5S
MOLECULAR WEIGHT: 300.29108
SMILES: C1=NC2=C(N1C3C(C(C(O3)CO)O)O)C(=O)NC(=S)N2
Structure:
CAS RN: 31349-83-4
CAS Name: 6-(dimethoxymethyl)-5-[(4-phenylphenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
OPENEYE Name: 6-(dimethoxymethyl)-5-[(4-phenylphenyl)methyl]-2-thioxo-1H-pyrimidin-4-one
IUPAC Name: 6-(dimethoxymethyl)-5-[(4-phenylphenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
SYSTEMATIC NAME: 6-(dimethoxymethyl)-5-[(4-phenylphenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
MOLECULAR FORMULA: C20H20N2O3S
MOLECULAR WEIGHT: 368.4494
SMILES: COC(C1=C(C(=O)NC(=S)N1)CC2=CC=C(C=C2)C3=CC=CC=C3)OC
Structure:
CAS RN: 1101-26-4
CAS Name: 2-methyl-2-(4-nitro-1-oxido-3-quinolin-1-iumyl)propanedioic acid diethyl ester
OPENEYE Name: diethyl 2-methyl-2-(4-nitro-1-oxido-quinolin-1-ium-3-yl)propanedioate
IUPAC Name: diethyl 2-methyl-2-(4-nitro-1-oxidoquinolin-1-ium-3-yl)propanedioate
SYSTEMATIC NAME: diethyl 2-methyl-2-(4-nitro-1-oxidanidyl-quinolin-1-ium-3-yl)propanedioate
MOLECULAR FORMULA: C17H18N2O7
MOLECULAR WEIGHT: 362.33402
SMILES: CCOC(=O)C(C)(C1=C(C2=CC=CC=C2[N+](=C1)[O-])[N+](=O)[O-])C(=O)OCC
Structure:
CAS RN: 5273-18-7
CAS Name: 3-propoxy-1H-pyridazine-6-thione
OPENEYE Name: 3-propoxy-1H-pyridazine-6-thione
IUPAC Name: 3-propoxy-1H-pyridazine-6-thione
SYSTEMATIC NAME: 3-propoxy-1H-pyridazine-6-thione
MOLECULAR FORMULA: C7H10N2OS
MOLECULAR WEIGHT: 170.2321
SMILES: CCCOC1=NNC(=S)C=C1
Structure:
CAS RN: 30695-37-5
CAS Name: 5-methyl-3-phenyl-2-sulfanylidene-1,3-diazinan-4-one
OPENEYE Name: 5-methyl-3-phenyl-2-thioxo-hexahydropyrimidin-4-one
IUPAC Name: 5-methyl-3-phenyl-2-sulfanylidene-1,3-diazinan-4-one
SYSTEMATIC NAME: 5-methyl-3-phenyl-2-sulfanylidene-1,3-diazinan-4-one
MOLECULAR FORMULA: C11H12N2OS
MOLECULAR WEIGHT: 220.29078
SMILES: CC1CNC(=S)N(C1=O)C2=CC=CC=C2
Structure:
CAS RN: 52092-43-0
CAS Name: 2-bromo-4-nitro-1-oxidopyridin-1-ium
OPENEYE Name: 2-bromo-4-nitro-1-oxido-pyridin-1-ium
IUPAC Name: 2-bromo-4-nitro-1-oxidopyridin-1-ium
SYSTEMATIC NAME: 2-bromanyl-4-nitro-1-oxidanidyl-pyridin-1-ium
MOLECULAR FORMULA: C5H3BrN2O3
MOLECULAR WEIGHT: 218.99292
SMILES: C1=C[N+](=C(C=C1[N+](=O)[O-])Br)[O-]
Structure:
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