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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=O)N1CC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4)C(=O)OC

InChI

InChI=1S/C21H20N2O5/c1-13-18(20(24)26-2)19(15-8-9-16-17(10-15)28-12-27-16)22-21(25)23(13)11-14-6-4-3-5-7-14/h3-10,19H,11-12H2,1-2H3,(H,22,25)