phenethyl 6-(1,3-benzodioxol-5-yl)-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: phenethyl 6-(1,3-benzodioxol-5-yl)-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: phenethyl 6-(1,3-benzodioxol-5-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(1,3-benzodioxol-5-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid phenethyl ester IUPAC Name: phenethyl 6-(1,3-benzodioxol-5-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(1,3-benzodioxol-5-yl)-2-keto-3,4-dimethyl-1,6-dihydropyrimidine-5-carboxylic acid phenethyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1C)C2=CC3=C(C=C2)OCO3)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(NC(=O)N1C)C2=CC3=C(C=C2)OCO3)C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C22H22N2O5/c1-14-19(21(25)27-11-10-15-6-4-3-5-7-15)20(23-22(26)24(14)2)16-8-9-17-18(12-16)29-13-28-17/h3-9,12,20H,10-11,13H2,1-2H3,(H,23,26)