CAS RN: 1811-39-8
CAS Name: 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propanenitrile
OPENEYE Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propanenitrile
IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propanenitrile
SYSTEMATIC NAME: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propanenitrile
MOLECULAR FORMULA: C10H11N5O2
MOLECULAR WEIGHT: 233.22664
SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2C)CCC#N
Structure:
CAS RN: 57509-02-1
CAS Name: 3,7,9-trimethyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione
OPENEYE Name: 3,7,9-trimethyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione
IUPAC Name: 3,7,9-trimethyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione
SYSTEMATIC NAME: 3,7,9-trimethyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione
MOLECULAR FORMULA: C10H12N6O2
MOLECULAR WEIGHT: 248.24128
SMILES: CC1=NNC2=NC3=C(N2C1)C(=O)N(C(=O)N3C)C
Structure:
CAS RN: 19977-29-8
CAS Name: 8-bromo-1,3-dimethyl-7-phenacylpurine-2,6-dione
OPENEYE Name: 8-bromo-1,3-dimethyl-7-phenacyl-purine-2,6-dione
IUPAC Name: 8-bromo-1,3-dimethyl-7-phenacylpurine-2,6-dione
SYSTEMATIC NAME: 8-bromanyl-1,3-dimethyl-7-phenacyl-purine-2,6-dione
MOLECULAR FORMULA: C15H13BrN4O3
MOLECULAR WEIGHT: 377.19272
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC(=O)C3=CC=CC=C3
Structure:
CAS RN: 1811-38-7
CAS Name: 3-(1,3-dimethyl-2,6-dioxo-7-purinyl)propanenitrile
OPENEYE Name: 3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanenitrile
IUPAC Name: 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanenitrile
SYSTEMATIC NAME: 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanenitrile
MOLECULAR FORMULA: C10H11N5O2
MOLECULAR WEIGHT: 233.22664
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC#N
Structure:
CAS RN: 24751-69-7
CAS Name: sulfamic acid [5-(6-aminopurin-9-yl)-2-fluoro-3,4-dihydroxy-2-oxolanyl]methyl ester
OPENEYE Name: [5-(6-aminopurin-9-yl)-2-fluoro-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl sulfamate
IUPAC Name: [5-(6-aminopurin-9-yl)-2-fluoro-3,4-dihydroxyoxolan-2-yl]methyl sulfamate
SYSTEMATIC NAME: [5-(6-aminopurin-9-yl)-2-fluoranyl-3,4-bis(oxidanyl)oxolan-2-yl]methyl sulfamate
MOLECULAR FORMULA: C10H13FN6O6S
MOLECULAR WEIGHT: 364.310223
SMILES: C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)(COS(=O)(=O)N)F)O)O
Structure:
CAS RN: 52536-36-4
CAS Name: 1-(2-chlorophenyl)-4-(3-chloropropyl)piperazine
OPENEYE Name: 1-(2-chlorophenyl)-4-(3-chloropropyl)piperazine
IUPAC Name: 1-(2-chlorophenyl)-4-(3-chloropropyl)piperazine
SYSTEMATIC NAME: 1-(3-chloranylpropyl)-4-(2-chlorophenyl)piperazine
MOLECULAR FORMULA: C13H18Cl2N2
MOLECULAR WEIGHT: 273.20142
SMILES: C1CN(CCN1CCCCl)C2=CC=CC=C2Cl
Structure:
CAS RN: 137-45-1
CAS Name: 1,2-dihydropyrazol-3-one
OPENEYE Name: 1,2-dihydropyrazol-3-one
IUPAC Name: 1,2-dihydropyrazol-3-one
SYSTEMATIC NAME: 1,2-dihydropyrazol-3-one
MOLECULAR FORMULA: C3H4N2O
MOLECULAR WEIGHT: 84.07666
SMILES: C1=CNNC1=O
Structure:
CAS RN: 14540-38-6
CAS Name: phosphoric acid tris(2-cyanopropan-2-yl) ester
OPENEYE Name: tris(1-cyano-1-methyl-ethyl) phosphate
IUPAC Name: tris(2-cyanopropan-2-yl) phosphate
SYSTEMATIC NAME: tris(2-cyanopropan-2-yl) phosphate
MOLECULAR FORMULA: C12H18N3O4P
MOLECULAR WEIGHT: 299.262781
SMILES: CC(C)(C#N)OP(=O)(OC(C)(C)C#N)OC(C)(C)C#N
Structure:
CAS RN: 22159-35-9
CAS Name: 2-[3,5-bis[4-(diethylamino)phenyl]-1,2,4-triazol-4-yl]ethanol
OPENEYE Name: 2-[3,5-bis[4-(diethylamino)phenyl]-1,2,4-triazol-4-yl]ethanol
IUPAC Name: 2-[3,5-bis[4-(diethylamino)phenyl]-1,2,4-triazol-4-yl]ethanol
SYSTEMATIC NAME: 2-[3,5-bis[4-(diethylamino)phenyl]-1,2,4-triazol-4-yl]ethanol
MOLECULAR FORMULA: C24H33N5O
MOLECULAR WEIGHT: 407.55172
SMILES: CCN(CC)C1=CC=C(C=C1)C2=NN=C(N2CCO)C3=CC=C(C=C3)N(CC)CC
Structure:
CAS RN: 89924-47-0
CAS Name: 2,2,2-trichloro-1-(2,2,2-trichloro-1-hydroxyethyl)phosphinoethanol
OPENEYE Name: 2,2,2-trichloro-1-(2,2,2-trichloro-1-hydroxy-ethyl)phosphanyl-ethanol
IUPAC Name: 2,2,2-trichloro-1-(2,2,2-trichloro-1-hydroxyethyl)phosphanylethanol
SYSTEMATIC NAME: 2,2,2-tris(chloranyl)-1-[2,2,2-tris(chloranyl)-1-oxidanyl-ethyl]phosphanyl-ethanol
MOLECULAR FORMULA: C4H5Cl6O2P
MOLECULAR WEIGHT: 328.773061
SMILES: C(C(Cl)(Cl)Cl)(O)PC(C(Cl)(Cl)Cl)O
Structure:
CAS RN: 91638-38-9
CAS Name: N-[2-[[(3,3-dimethyl-2-oxiranyl)-oxomethyl]amino]ethyl]-3,3-dimethyl-2-oxiranecarboxamide
OPENEYE Name: N-[2-[(3,3-dimethyloxirane-2-carbonyl)amino]ethyl]-3,3-dimethyl-oxirane-2-carboxamide
IUPAC Name: N-[2-[(3,3-dimethyloxirane-2-carbonyl)amino]ethyl]-3,3-dimethyloxirane-2-carboxamide
SYSTEMATIC NAME: N-[2-[(3,3-dimethyloxiran-2-yl)carbonylamino]ethyl]-3,3-dimethyl-oxirane-2-carboxamide
MOLECULAR FORMULA: C12H20N2O4
MOLECULAR WEIGHT: 256.2982
SMILES: CC1(C(O1)C(=O)NCCNC(=O)C2C(O2)(C)C)C
Structure:
CAS RN: 91137-43-8
CAS Name: carbonic acid methyl 8-quinolinyl ester
OPENEYE Name: methyl 8-quinolyl carbonate
IUPAC Name: methyl quinolin-8-yl carbonate
SYSTEMATIC NAME: methyl quinolin-8-yl carbonate
MOLECULAR FORMULA: C11H9NO3
MOLECULAR WEIGHT: 203.19406
SMILES: COC(=O)OC1=CC=CC2=C1N=CC=C2
Structure:
CAS RN: 92248-38-9
CAS Name: carbonic acid butyl 8-quinolinyl ester
OPENEYE Name: butyl 8-quinolyl carbonate
IUPAC Name: butyl quinolin-8-yl carbonate
SYSTEMATIC NAME: butyl quinolin-8-yl carbonate
MOLECULAR FORMULA: C14H15NO3
MOLECULAR WEIGHT: 245.2738
SMILES: CCCCOC(=O)OC1=CC=CC2=C1N=CC=C2
Structure:
CAS RN: 92248-39-0
CAS Name: carbonic acid 2-methylpropyl 8-quinolinyl ester
OPENEYE Name: isobutyl 8-quinolyl carbonate
IUPAC Name: 2-methylpropyl quinolin-8-yl carbonate
SYSTEMATIC NAME: 2-methylpropyl quinolin-8-yl carbonate
MOLECULAR FORMULA: C14H15NO3
MOLECULAR WEIGHT: 245.2738
SMILES: CC(C)COC(=O)OC1=CC=CC2=C1N=CC=C2
Structure:
CAS RN: 14149-26-9
CAS Name: 4-methyl-N-[tris(1-aziridinyl)phosphoranylidene]benzenesulfonamide
OPENEYE Name: 4-methyl-N-[tris(aziridin-1-yl)-$l^{5}-phosphanylidene]benzenesulfonamide
IUPAC Name: 4-methyl-N-[tris(aziridin-1-yl)-$l^{5}-phosphanylidene]benzenesulfonamide
SYSTEMATIC NAME: 4-methyl-N-[tris(aziridin-1-yl)-$l^{5}-phosphanylidene]benzenesulfonamide
MOLECULAR FORMULA: C13H19N4O2PS
MOLECULAR WEIGHT: 326.354321
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N=P(N2CC2)(N3CC3)N4CC4
Structure:
CAS RN: 4411-74-9
CAS Name: N-[tris(1-aziridinyl)phosphoranylidene]benzenesulfonamide
OPENEYE Name: N-[tris(aziridin-1-yl)-$l^{5}-phosphanylidene]benzenesulfonamide
IUPAC Name: N-[tris(aziridin-1-yl)-$l^{5}-phosphanylidene]benzenesulfonamide
SYSTEMATIC NAME: N-[tris(aziridin-1-yl)-$l^{5}-phosphanylidene]benzenesulfonamide
MOLECULAR FORMULA: C12H17N4O2PS
MOLECULAR WEIGHT: 312.327741
SMILES: C1CN1P(=NS(=O)(=O)C2=CC=CC=C2)(N3CC3)N4CC4
Structure:
CAS RN: 16730-20-4
CAS Name: 5-nitro-1H-indole-2-carboxylic acid
OPENEYE Name: 5-nitro-1H-indole-2-carboxylic acid
IUPAC Name: 5-nitro-1H-indole-2-carboxylic acid
SYSTEMATIC NAME: 5-nitro-1H-indole-2-carboxylic acid
MOLECULAR FORMULA: C9H6N2O4
MOLECULAR WEIGHT: 206.15494
SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C=C(N2)C(=O)O
Structure:
CAS RN: 88449-82-5
CAS Name: 4-(dodecylthio)-4-oxobutanoic acid
OPENEYE Name: 4-dodecylsulfanyl-4-oxo-butanoic acid
IUPAC Name: 4-dodecylsulfanyl-4-oxobutanoic acid
SYSTEMATIC NAME: 4-dodecylsulfanyl-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C16H30O3S
MOLECULAR WEIGHT: 302.4726
SMILES: CCCCCCCCCCCCSC(=O)CCC(=O)O
Structure:
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