5-[(3S)-3-(4-ethoxyphenyl)-2,3-dihydro-1H-pyrazol-5-yl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[(3S)-3-(4-ethoxyphenyl)-2,3-dihydro-1H-pyrazol-5-yl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(3S)-3-(4-ethoxyphenyl)-2,3-dihydro-1H-pyrazol-5-yl]-1,3-dimethyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(3S)-3-(4-ethoxyphenyl)-2,3-dihydro-1H-pyrazol-5-yl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(3S)-3-(4-ethoxyphenyl)-2,3-dihydro-1H-pyrazol-5-yl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione Traditional Name: 1,3-dimethyl-5-[(5S)-5-p-phenetyl-3-pyrazolin-3-yl]barbituric acid Formula: C17H20N4O4 MolecularWeight: 344.3651

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C=C(NN2)C3C(=O)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@@H]2C=C(NN2)C3C(=O)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C17H20N4O4/c1-4-25-11-7-5-10(6-8-11)12-9-13(19-18-12)14-15(22)20(2)17(24)21(3)16(14)23/h5-9,12,14,18-19H,4H2,1-3H3/t12-/m0/s1