CAS RN: 69228-29-1
CAS Name: 2-methyl-5-nitroso-1H-pyrimidine-4,6-dione
OPENEYE Name: 2-methyl-5-nitroso-1H-pyrimidine-4,6-dione
IUPAC Name: 2-methyl-5-nitroso-1H-pyrimidine-4,6-dione
SYSTEMATIC NAME: 2-methyl-5-nitroso-1H-pyrimidine-4,6-dione
MOLECULAR FORMULA: C5H5N3O3
MOLECULAR WEIGHT: 155.1115
SMILES: CC1=NC(=O)C(C(=O)N1)N=O
Structure:
CAS RN: 56983-60-9
CAS Name: 2-amino-5-nitroso-1H-pyrimidine-4,6-dione
OPENEYE Name: 2-amino-5-nitroso-1H-pyrimidine-4,6-dione
IUPAC Name: 2-amino-5-nitroso-1H-pyrimidine-4,6-dione
SYSTEMATIC NAME: 2-azanyl-5-nitroso-1H-pyrimidine-4,6-dione
MOLECULAR FORMULA: C4H4N4O3
MOLECULAR WEIGHT: 156.09956
SMILES: C1(C(=O)NC(=NC1=O)N)N=O
Structure:
CAS RN: 62374-22-5
CAS Name: (6-amino-2-oxo-1H-pyrimidin-5-yl)methanesulfonic acid
OPENEYE Name: (6-amino-2-oxo-1H-pyrimidin-5-yl)methanesulfonic acid
IUPAC Name: (6-amino-2-oxo-1H-pyrimidin-5-yl)methanesulfonic acid
SYSTEMATIC NAME: (6-azanyl-2-oxidanylidene-1H-pyrimidin-5-yl)methanesulfonic acid
MOLECULAR FORMULA: C5H7N3O4S
MOLECULAR WEIGHT: 205.19178
SMILES: C1=NC(=O)NC(=C1CS(=O)(=O)O)N
Structure:
CAS RN: 39213-24-6
CAS Name: methoxy(methylsulfonyl)methane
OPENEYE Name: methoxy(methylsulfonyl)methane
IUPAC Name: methoxy(methylsulfonyl)methane
SYSTEMATIC NAME: methoxy(methylsulfonyl)methane
MOLECULAR FORMULA: C3H8O3S
MOLECULAR WEIGHT: 124.15882
SMILES: COCS(=O)(=O)C
Structure:
CAS RN: 57563-04-9
CAS Name: 1,3-bis(2-chloroethyl)-5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
OPENEYE Name: 1,3-bis(2-chloroethyl)-5-ethyl-5-(1-methylbutyl)hexahydropyrimidine-2,4,6-trione
IUPAC Name: 1,3-bis(2-chloroethyl)-5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 1,3-bis(2-chloroethyl)-5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C15H24Cl2N2O3
MOLECULAR WEIGHT: 351.26866
SMILES: CCCC(C)C1(C(=O)N(C(=O)N(C1=O)CCCl)CCCl)CC
Structure:
CAS RN: 57563-03-8
CAS Name: 1,3-bis(2-chloroethyl)-5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
OPENEYE Name: 1,3-bis(2-chloroethyl)-5-ethyl-5-isopentyl-hexahydropyrimidine-2,4,6-trione
IUPAC Name: 1,3-bis(2-chloroethyl)-5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 1,3-bis(2-chloroethyl)-5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C15H24Cl2N2O3
MOLECULAR WEIGHT: 351.26866
SMILES: CCC1(C(=O)N(C(=O)N(C1=O)CCCl)CCCl)CCC(C)C
Structure:
CAS RN: 61327-80-8
CAS Name: 1-(2-chloroethyl)-5-(1-cyclohexenyl)-3,5-dimethyl-1,3-diazinane-2,4,6-trione
OPENEYE Name: 1-(2-chloroethyl)-5-(cyclohexen-1-yl)-3,5-dimethyl-hexahydropyrimidine-2,4,6-trione
IUPAC Name: 1-(2-chloroethyl)-5-(cyclohexen-1-yl)-3,5-dimethyl-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 1-(2-chloroethyl)-5-(cyclohexen-1-yl)-3,5-dimethyl-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C14H19ClN2O3
MOLECULAR WEIGHT: 298.76526
SMILES: CC1(C(=O)N(C(=O)N(C1=O)CCCl)C)C2=CCCCC2
Structure:
CAS RN: 57563-05-0
CAS Name: 1,3-bis(2-chloroethyl)-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
OPENEYE Name: 1,3-bis(2-chloroethyl)-5-ethyl-5-phenyl-hexahydropyrimidine-2,4,6-trione
IUPAC Name: 1,3-bis(2-chloroethyl)-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 1,3-bis(2-chloroethyl)-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C16H18Cl2N2O3
MOLECULAR WEIGHT: 357.23172
SMILES: CCC1(C(=O)N(C(=O)N(C1=O)CCCl)CCCl)C2=CC=CC=C2
Structure:
CAS RN: 61327-79-5
CAS Name: 1-(2-chloroethyl)-5-ethyl-3-methyl-5-phenyl-1,3-diazinane-2,4,6-trione
OPENEYE Name: 1-(2-chloroethyl)-5-ethyl-3-methyl-5-phenyl-hexahydropyrimidine-2,4,6-trione
IUPAC Name: 1-(2-chloroethyl)-5-ethyl-3-methyl-5-phenyl-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 1-(2-chloroethyl)-5-ethyl-3-methyl-5-phenyl-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C15H17ClN2O3
MOLECULAR WEIGHT: 308.76008
SMILES: CCC1(C(=O)N(C(=O)N(C1=O)CCCl)C)C2=CC=CC=C2
Structure:
CAS RN: 2942-32-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C8H4ClN5
MOLECULAR WEIGHT: 205.60386
SMILES: C1=CC2=C(C3=NN=CN3N=C2Cl)N=C1
Structure:
CAS RN: 7589-57-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H5ClN4
MOLECULAR WEIGHT: 204.6158
SMILES: C1=CC2=C(C(=NN3C2=NC=C3)Cl)N=C1
Structure:
CAS RN: 57344-98-6
CAS Name: 2-amino-4-[[5-(4-amino-7-pyrrolo[2,3-d]pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methylthio]butanoic acid
OPENEYE Name: 2-amino-4-[[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfanyl]butanoic acid
IUPAC Name: 2-amino-4-[[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
SYSTEMATIC NAME: 2-azanyl-4-[[5-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid
MOLECULAR FORMULA: C15H21N5O5S
MOLECULAR WEIGHT: 383.42274
SMILES: C1=CN(C2=C1C(=NC=N2)N)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O
Structure:
CAS RN: 30076-55-2
CAS Name: N-[2-(1-piperidinyl)-1,3-benzothiazol-6-yl]carbamic acid ethyl ester
OPENEYE Name: ethyl N-[2-(1-piperidyl)-1,3-benzothiazol-6-yl]carbamate
IUPAC Name: ethyl N-(2-piperidin-1-yl-1,3-benzothiazol-6-yl)carbamate
SYSTEMATIC NAME: ethyl N-(2-piperidin-1-yl-1,3-benzothiazol-6-yl)carbamate
MOLECULAR FORMULA: C15H19N3O2S
MOLECULAR WEIGHT: 305.39526
SMILES: CCOC(=O)NC1=CC2=C(C=C1)N=C(S2)N3CCCCC3
Structure:
CAS RN: 60248-77-3
CAS Name: 4-methyl-5-phenacylidene-2-furanone
OPENEYE Name: 4-methyl-5-phenacylidene-furan-2-one
IUPAC Name: 4-methyl-5-phenacylidenefuran-2-one
SYSTEMATIC NAME: 4-methyl-5-phenacylidene-furan-2-one
MOLECULAR FORMULA: C13H10O3
MOLECULAR WEIGHT: 214.2167
SMILES: CC1=CC(=O)OC1=CC(=O)C2=CC=CC=C2
Structure:
CAS RN: 70580-61-9
CAS Name: 4-amino-2-(aminomethyl)-6-methoxy-3-oxanol
OPENEYE Name: 4-amino-2-(aminomethyl)-6-methoxy-tetrahydropyran-3-ol
IUPAC Name: 4-amino-2-(aminomethyl)-6-methoxyoxan-3-ol
SYSTEMATIC NAME: 2-(aminomethyl)-4-azanyl-6-methoxy-oxan-3-ol
MOLECULAR FORMULA: C7H16N2O3
MOLECULAR WEIGHT: 176.21354
SMILES: COC1CC(C(C(O1)CN)O)N
Structure:
CAS RN: 32469-90-2
CAS Name: benzoic acid (3-benzoyloxy-6-methoxy-2-methyl-4-oxanyl) ester
OPENEYE Name: (3-benzoyloxy-6-methoxy-2-methyl-tetrahydropyran-4-yl) benzoate
IUPAC Name: (3-benzoyloxy-6-methoxy-2-methyloxan-4-yl) benzoate
SYSTEMATIC NAME: [6-methoxy-2-methyl-3-(phenylcarbonyloxy)oxan-4-yl] benzoate
MOLECULAR FORMULA: C21H22O6
MOLECULAR WEIGHT: 370.39578
SMILES: CC1C(C(CC(O1)OC)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3
Structure:
CAS RN: 64429-65-8
CAS Name: benzoic acid (3-benzoyloxy-6-methoxy-2-methyl-4-oxanyl) ester
OPENEYE Name: (3-benzoyloxy-6-methoxy-2-methyl-tetrahydropyran-4-yl) benzoate
IUPAC Name: (3-benzoyloxy-6-methoxy-2-methyloxan-4-yl) benzoate
SYSTEMATIC NAME: [6-methoxy-2-methyl-3-(phenylcarbonyloxy)oxan-4-yl] benzoate
MOLECULAR FORMULA: C21H22O6
MOLECULAR WEIGHT: 370.39578
SMILES: CC1C(C(CC(O1)OC)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3
Structure:
CAS RN: 60178-94-1
CAS Name: 4-methyl-5-oxo-1-phenyl-4H-pyrazole-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 4-methyl-5-oxo-1-phenyl-4H-pyrazole-3-carboxylate
IUPAC Name: ethyl 4-methyl-5-oxo-1-phenyl-4H-pyrazole-3-carboxylate
SYSTEMATIC NAME: ethyl 4-methyl-5-oxidanylidene-1-phenyl-4H-pyrazole-3-carboxylate
MOLECULAR FORMULA: C13H14N2O3
MOLECULAR WEIGHT: 246.26186
SMILES: CCOC(=O)C1=NN(C(=O)C1C)C2=CC=CC=C2
Structure:
CAS RN: 60178-93-0
CAS Name: 5-oxo-1,4-diphenyl-4H-pyrazole-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 5-oxo-1,4-diphenyl-4H-pyrazole-3-carboxylate
IUPAC Name: ethyl 5-oxo-1,4-diphenyl-4H-pyrazole-3-carboxylate
SYSTEMATIC NAME: ethyl 5-oxidanylidene-1,4-diphenyl-4H-pyrazole-3-carboxylate
MOLECULAR FORMULA: C18H16N2O3
MOLECULAR WEIGHT: 308.33124
SMILES: CCOC(=O)C1=NN(C(=O)C1C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 60178-91-8
CAS Name: 1-methyl-5-oxo-4H-pyrazole-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 1-methyl-5-oxo-4H-pyrazole-3-carboxylate
IUPAC Name: ethyl 1-methyl-5-oxo-4H-pyrazole-3-carboxylate
SYSTEMATIC NAME: ethyl 1-methyl-5-oxidanylidene-4H-pyrazole-3-carboxylate
MOLECULAR FORMULA: C7H10N2O3
MOLECULAR WEIGHT: 170.1659
SMILES: CCOC(=O)C1=NN(C(=O)C1)C
Structure:
CAS RN: 59208-03-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H24N4
MOLECULAR WEIGHT: 344.45276
SMILES: CC1=CC2=C(C=C1C)N3CCC4=NC5=C(N4CCC3=N2)C=C(C(=C5)C)C
Structure:
CAS RN: 59225-16-0
CAS Name: 3-amino-2H-pyrazolo[3,4-b]quinoline-4-carboxylic acid ethyl ester
OPENEYE Name: ethyl 3-amino-2H-pyrazolo[3,4-b]quinoline-4-carboxylate
IUPAC Name: ethyl 3-amino-2H-pyrazolo[3,4-b]quinoline-4-carboxylate
SYSTEMATIC NAME: ethyl 3-azanyl-2H-pyrazolo[3,4-b]quinoline-4-carboxylate
MOLECULAR FORMULA: C13H12N4O2
MOLECULAR WEIGHT: 256.25998
SMILES: CCOC(=O)C1=C2C=CC=CC2=NC3=NNC(=C13)N
Structure:
CAS RN: 59225-08-0
CAS Name: 4-(methoxymethyl)-6-methyl-2H-pyrazolo[3,4-b]pyridin-3-amine
OPENEYE Name: 4-(methoxymethyl)-6-methyl-2H-pyrazolo[3,4-b]pyridin-3-amine
IUPAC Name: 4-(methoxymethyl)-6-methyl-2H-pyrazolo[3,4-b]pyridin-3-amine
SYSTEMATIC NAME: 4-(methoxymethyl)-6-methyl-2H-pyrazolo[3,4-b]pyridin-3-amine
MOLECULAR FORMULA: C9H12N4O
MOLECULAR WEIGHT: 192.21778
SMILES: CC1=NC2=NNC(=C2C(=C1)COC)N
Structure:
CAS RN: 56543-80-7
CAS Name: 1-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
OPENEYE Name: 1-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
IUPAC Name: 1-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
SYSTEMATIC NAME: 1-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
MOLECULAR FORMULA: C9H11N3O
MOLECULAR WEIGHT: 177.20314
SMILES: CC1=CC2=NN=C(N2C=C1)C(C)O
Structure:
CAS RN: 59484-00-3
CAS Name: 3-[(1,4-dioxo-2-naphthalenyl)thio]-2-butenoic acid ethyl ester
OPENEYE Name: ethyl 3-[(1,4-dioxo-2-naphthyl)sulfanyl]but-2-enoate
IUPAC Name: ethyl 3-(1,4-dioxonaphthalen-2-yl)sulfanylbut-2-enoate
SYSTEMATIC NAME: ethyl 3-[1,4-bis(oxidanylidene)naphthalen-2-yl]sulfanylbut-2-enoate
MOLECULAR FORMULA: C16H14O4S
MOLECULAR WEIGHT: 302.34496
SMILES: CCOC(=O)C=C(C)SC1=CC(=O)C2=CC=CC=C2C1=O
Structure:
CAS RN: 70539-67-2
CAS Name: N-[amino-(4-nitrophenoxy)phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine
OPENEYE Name: N-[amino-(4-nitrophenoxy)phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine
IUPAC Name: N-[amino-(4-nitrophenoxy)phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine
SYSTEMATIC NAME: N-[azanyl-(4-nitrophenoxy)phosphoryl]-2-chloranyl-N-(2-chloroethyl)ethanamine
MOLECULAR FORMULA: C10H14Cl2N3O4P
MOLECULAR WEIGHT: 342.115621
SMILES: C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(N)N(CCCl)CCCl
Structure:
CAS RN: 41791-10-0
CAS Name: 1-(bromomethyl)-4-methylnaphthalene
OPENEYE Name: 1-(bromomethyl)-4-methyl-naphthalene
IUPAC Name: 1-(bromomethyl)-4-methylnaphthalene
SYSTEMATIC NAME: 1-(bromomethyl)-4-methyl-naphthalene
MOLECULAR FORMULA: C12H11Br
MOLECULAR WEIGHT: 235.11974
SMILES: CC1=CC=C(C2=CC=CC=C12)CBr
Structure:
CAS RN: 26934-87-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H32O8
MOLECULAR WEIGHT: 424.48468
SMILES: CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H]([C@H]([C@]34CO4)O2)O)O)C)COC(=O)C
Structure:
CAS RN: 61555-22-4
CAS Name: spiro[1,3-dihydroindene-2,4'-cyclohexane]-1,1'-diol
OPENEYE Name: spiro[cyclohexane-4,2'-indane]-1,1'-diol
IUPAC Name: spiro[1,3-dihydroindene-2,4'-cyclohexane]-1,1'-diol
SYSTEMATIC NAME: spiro[1,3-dihydroindene-2,4'-cyclohexane]-1,1'-diol
MOLECULAR FORMULA: C14H18O2
MOLECULAR WEIGHT: 218.29152
SMILES: C1CC2(CCC1O)CC3=CC=CC=C3C2O
Structure:
CAS RN: 54837-14-8
CAS Name: 2-(phenylmethoxyamino)acetic acid
OPENEYE Name: 2-(benzyloxyamino)acetic acid
IUPAC Name: 2-(phenylmethoxyamino)acetic acid
SYSTEMATIC NAME: 2-(phenylmethoxyamino)ethanoic acid
MOLECULAR FORMULA: C9H11NO3
MOLECULAR WEIGHT: 181.18854
SMILES: C1=CC=C(C=C1)CONCC(=O)O
Structure:
CAS RN: 65273-63-4
CAS Name: 2-(2-diphenylphosphorylethyl)isoindole-1,3-dione
OPENEYE Name: 2-(2-diphenylphosphorylethyl)isoindoline-1,3-dione
IUPAC Name: 2-(2-diphenylphosphorylethyl)isoindole-1,3-dione
SYSTEMATIC NAME: 2-(2-diphenylphosphorylethyl)isoindole-1,3-dione
MOLECULAR FORMULA: C22H18NO3P
MOLECULAR WEIGHT: 375.356981
SMILES: C1=CC=C(C=C1)P(=O)(CCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4
Structure:
CAS RN: 63463-22-9
CAS Name: 7-(dimethylamino)-4-oxo-1H-quinoline-3-carboxylic acid
OPENEYE Name: 7-(dimethylamino)-4-oxo-1H-quinoline-3-carboxylic acid
IUPAC Name: 7-(dimethylamino)-4-oxo-1H-quinoline-3-carboxylic acid
SYSTEMATIC NAME: 7-(dimethylamino)-4-oxidanylidene-1H-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C12H12N2O3
MOLECULAR WEIGHT: 232.23528
SMILES: CN(C)C1=CC2=C(C=C1)C(=O)C(=CN2)C(=O)O
Structure:
CAS RN: 21197-70-6
CAS Name: 2,6-dimethyl-4-pyridin-4-yl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester
OPENEYE Name: diethyl 2,6-dimethyl-4-(4-pyridyl)-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC Name: diethyl 2,6-dimethyl-4-pyridin-4-yl-1,4-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: diethyl 2,6-dimethyl-4-pyridin-4-yl-1,4-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C18H22N2O4
MOLECULAR WEIGHT: 330.37828
SMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC=NC=C2)C(=O)OCC)C)C
Structure:
CAS RN: 60110-48-7
CAS Name: 1,2,4a,5,6,7,8,8a-octahydrobenzo[e][1,3,4]oxadiazin-3-one
OPENEYE Name: 1,2,4a,5,6,7,8,8a-octahydrobenzo[e][1,3,4]oxadiazin-3-one
IUPAC Name: 1,2,4a,5,6,7,8,8a-octahydrobenzo[e][1,3,4]oxadiazin-3-one
SYSTEMATIC NAME: 1,2,4a,5,6,7,8,8a-octahydrobenzo[e][1,3,4]oxadiazin-3-one
MOLECULAR FORMULA: C7H12N2O2
MOLECULAR WEIGHT: 156.18238
SMILES: C1CCC2C(C1)NNC(=O)O2
Structure:
CAS RN: 59183-14-1
CAS Name: (4-methyl-2-oxo-1-propan-2-ylcyclohexyl)-[(4-methyl-2-oxo-1-propan-2-ylcyclohexyl)-oxidoamino]-oxoammonium
OPENEYE Name: (1-isopropyl-4-methyl-2-oxo-cyclohexyl)-[(1-isopropyl-4-methyl-2-oxo-cyclohexyl)-oxido-amino]-oxo-ammonium
IUPAC Name: (4-methyl-2-oxo-1-propan-2-ylcyclohexyl)-[(4-methyl-2-oxo-1-propan-2-ylcyclohexyl)-oxidoamino]-oxoazanium
SYSTEMATIC NAME: (4-methyl-2-oxidanylidene-1-propan-2-yl-cyclohexyl)-[(4-methyl-2-oxidanylidene-1-propan-2-yl-cyclohexyl)-oxidanidyl-amino]-oxidanylidene-azanium
MOLECULAR FORMULA: C20H34N2O4
MOLECULAR WEIGHT: 366.49496
SMILES: CC1CCC(C(=O)C1)(C(C)C)N([N+](=O)C2(CCC(CC2=O)C)C(C)C)[O-]
Structure:
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