CAS RN: 97534-82-2
CAS Name: 3-phenylmethoxycarbonyl-4-oxazolidinecarboxylic acid
OPENEYE Name: 3-benzyloxycarbonyloxazolidine-4-carboxylic acid
IUPAC Name: 3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid
SYSTEMATIC NAME: 3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid
MOLECULAR FORMULA: C12H13NO5
MOLECULAR WEIGHT: 251.23532
SMILES: C1C(N(CO1)C(=O)OCC2=CC=CC=C2)C(=O)O
Structure:
CAS RN: 18295-25-5
CAS Name: acetic acid (3-methoxy-9-oxo-7,8-dihydrobenzo[7]annulen-2-yl) ester
OPENEYE Name: (3-methoxy-9-oxo-7,8-dihydrobenzo[7]annulen-2-yl) acetate
IUPAC Name: (3-methoxy-9-oxo-7,8-dihydrobenzo[7]annulen-2-yl) acetate
SYSTEMATIC NAME: (3-methoxy-9-oxidanylidene-7,8-dihydrobenzo[7]annulen-2-yl) ethanoate
MOLECULAR FORMULA: C14H14O4
MOLECULAR WEIGHT: 246.25856
SMILES: CC(=O)OC1=C(C=C2C=CCCC(=O)C2=C1)OC
Structure:
CAS RN: 14204-97-8
CAS Name: 7,8-dimethoxy-3-(4-methylphenyl)sulfonyl-2,4-dihydro-1H-3-benzazepin-5-one
OPENEYE Name: 7,8-dimethoxy-3-(p-tolylsulfonyl)-2,4-dihydro-1H-3-benzazepin-5-one
IUPAC Name: 7,8-dimethoxy-3-(4-methylphenyl)sulfonyl-2,4-dihydro-1H-3-benzazepin-5-one
SYSTEMATIC NAME: 7,8-dimethoxy-3-(4-methylphenyl)sulfonyl-2,4-dihydro-1H-3-benzazepin-5-one
MOLECULAR FORMULA: C19H21NO5S
MOLECULAR WEIGHT: 375.43874
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC(=C(C=C3C(=O)C2)OC)OC
Structure:
CAS RN: 23417-02-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H16
MOLECULAR WEIGHT: 220.30894
SMILES: C1CC2C3=CC=CC=C3C(C1)C4=CC=CC=C24
Structure:
CAS RN: 28735-22-0
CAS Name: 3-methoxy-1,2,4-triazine
OPENEYE Name: 3-methoxy-1,2,4-triazine
IUPAC Name: 3-methoxy-1,2,4-triazine
SYSTEMATIC NAME: 3-methoxy-1,2,4-triazine
MOLECULAR FORMULA: C4H5N3O
MOLECULAR WEIGHT: 111.102
SMILES: COC1=NC=CN=N1
Structure:
CAS RN: 28948-54-1
CAS Name: 3-methoxy-1,2,4-triazine
OPENEYE Name: 3-methoxy-1,2,4-triazine
IUPAC Name: 3-methoxy-1,2,4-triazine
SYSTEMATIC NAME: 3-methoxy-1,2,4-triazine
MOLECULAR FORMULA: C4H5N3O
MOLECULAR WEIGHT: 111.102
SMILES: COC1=NC=CN=N1
Structure:
CAS RN: 119005-25-3
CAS Name: 4-nitrobenzenesulfonic acid 2-oxiranylmethyl ester
OPENEYE Name: oxiran-2-ylmethyl 4-nitrobenzenesulfonate
IUPAC Name: oxiran-2-ylmethyl 4-nitrobenzenesulfonate
SYSTEMATIC NAME: oxiran-2-ylmethyl 4-nitrobenzenesulfonate
MOLECULAR FORMULA: C9H9NO6S
MOLECULAR WEIGHT: 259.23586
SMILES: C1C(O1)COS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 51087-03-7
CAS Name: 3-[[[[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylamino]-oxomethyl]amino]-N,N-dimethylbenzamide; ethanesulfonic acid
OPENEYE Name: 3-[[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylcarbamoylamino]-N,N-dimethyl-benzamide; ethanesulfonic acid
IUPAC Name: 3-[[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylcarbamoylamino]-N,N-dimethylbenzamide; ethanesulfonic acid
SYSTEMATIC NAME: 3-[[3-[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]phenyl]methylcarbamoylamino]-N,N-dimethyl-benzamide; ethanesulfonic acid
MOLECULAR FORMULA: C24H34N8O5S
MOLECULAR WEIGHT: 546.64236
SMILES: CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=CC(=C2)CNC(=O)NC3=CC=CC(=C3)C(=O)N(C)C)N)N)C
Structure:
CAS RN: 27022-98-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H10N2O3
MOLECULAR WEIGHT: 290.2729
SMILES: C1C2=CC3=CC=CC=C3N=C2C4=CC5=C(COC5=O)C(=O)N41
Structure:
CAS RN: 7544-65-2
CAS Name: 6-(1,3-dihydroxybutyl)-7-methyl-3-methylene-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one
OPENEYE Name: 6-(1,3-dihydroxybutyl)-7-methyl-3-methylene-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one
IUPAC Name: 6-(1,3-dihydroxybutyl)-7-methyl-3-methylidene-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one
SYSTEMATIC NAME: 6-[1,3-bis(oxidanyl)butyl]-7-methyl-3-methylidene-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one
MOLECULAR FORMULA: C15H22O4
MOLECULAR WEIGHT: 266.33278
SMILES: CC1CC2C(CC=C1C(CC(C)O)O)C(=C)C(=O)O2
Structure:
CAS RN: 1749-68-4
CAS Name: 6-chloro-2-methyl-4-pyrimidinamine
OPENEYE Name: 6-chloro-2-methyl-pyrimidin-4-amine
IUPAC Name: 6-chloro-2-methylpyrimidin-4-amine
SYSTEMATIC NAME: 6-chloranyl-2-methyl-pyrimidin-4-amine
MOLECULAR FORMULA: C5H6ClN3
MOLECULAR WEIGHT: 143.57424
SMILES: CC1=NC(=CC(=N1)Cl)N
Structure:
CAS RN: 39491-51-5
CAS Name: 4-(6-aminopurin-9-yl)-N,2,2-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide
OPENEYE Name: 4-(6-aminopurin-9-yl)-N,2,2-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide
IUPAC Name: 4-(6-aminopurin-9-yl)-N,2,2-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide
SYSTEMATIC NAME: 4-(6-aminopurin-9-yl)-N,2,2-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide
MOLECULAR FORMULA: C14H18N6O4
MOLECULAR WEIGHT: 334.33052
SMILES: CC1(OC2C(O1)C(OC2C(=O)NC)N3C=NC4=C3N=CN=C4N)C
Structure:
CAS RN: 24765-16-0
CAS Name: 2-[(4-chlorophenyl)methylidene]-1-cyclohexanone
OPENEYE Name: 2-[(4-chlorophenyl)methylene]cyclohexanone
IUPAC Name: 2-[(4-chlorophenyl)methylidene]cyclohexan-1-one
SYSTEMATIC NAME: 2-[(4-chlorophenyl)methylidene]cyclohexan-1-one
MOLECULAR FORMULA: C13H13ClO
MOLECULAR WEIGHT: 220.69472
SMILES: C1CCC(=O)C(=CC2=CC=C(C=C2)Cl)C1
Structure:
CAS RN: 16421-86-6
CAS Name: 2-(1,3,2-benzodioxaphosphol-2-yloxy)-1,3,2-benzodioxaphosphole
OPENEYE Name: 2-(1,3,2-benzodioxaphosphol-2-yloxy)-1,3,2-benzodioxaphosphole
IUPAC Name: 2-(1,3,2-benzodioxaphosphol-2-yloxy)-1,3,2-benzodioxaphosphole
SYSTEMATIC NAME: 2-(1,3,2-benzodioxaphosphol-2-yloxy)-1,3,2-benzodioxaphosphole
MOLECULAR FORMULA: C12H8O5P2
MOLECULAR WEIGHT: 294.136442
SMILES: C1=CC=C2C(=C1)OP(O2)OP3OC4=CC=CC=C4O3
Structure:
CAS RN: 80782-87-2
CAS Name: 1-[4-(1-piperidinyl)-1-piperidinyl]-1-hexadecanone
OPENEYE Name: 1-[4-(1-piperidyl)-1-piperidyl]hexadecan-1-one
IUPAC Name: 1-(4-piperidin-1-ylpiperidin-1-yl)hexadecan-1-one
SYSTEMATIC NAME: 1-(4-piperidin-1-ylpiperidin-1-yl)hexadecan-1-one
MOLECULAR FORMULA: C26H50N2O
MOLECULAR WEIGHT: 406.688
SMILES: CCCCCCCCCCCCCCCC(=O)N1CCC(CC1)N2CCCCC2
Structure:
CAS RN: 32889-94-4
CAS Name: 7-methoxy-9-oxo-11H-indolizino[1,2-b]quinoline-8-carboxylic acid ethyl ester
OPENEYE Name: ethyl 7-methoxy-9-oxo-11H-indolizino[1,2-b]quinoline-8-carboxylate
IUPAC Name: ethyl 7-methoxy-9-oxo-11H-indolizino[1,2-b]quinoline-8-carboxylate
SYSTEMATIC NAME: ethyl 7-methoxy-9-oxidanylidene-11H-indolizino[1,2-b]quinoline-8-carboxylate
MOLECULAR FORMULA: C19H16N2O4
MOLECULAR WEIGHT: 336.34134
SMILES: CCOC(=O)C1=C(C=C2C3=NC4=CC=CC=C4C=C3CN2C1=O)OC
Structure:
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