ethyl (6S)-3-(1,3-benzodioxol-5-yl)-4-methyl-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6S)-3-(1,3-benzodioxol-5-yl)-4-methyl-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-3-(1,3-benzodioxol-5-yl)-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-(1,3-benzodioxol-5-yl)-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-3-(1,3-benzodioxol-5-yl)-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-(1,3-benzodioxol-5-yl)-2-keto-4-methyl-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)N[C@H]1C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C21H20N2O5/c1-3-26-20(24)18-13(2)23(15-9-10-16-17(11-15)28-12-27-16)21(25)22-19(18)14-7-5-4-6-8-14/h4-11,19H,3,12H2,1-2H3,(H,22,25)/t19-/m0/s1