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

Systemtic Name: phenethyl 6-(6-bromanyl-1,3-benzodioxol-5-yl)-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: phenethyl 6-(6-bromo-1,3-benzodioxol-5-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(6-bromo-1,3-benzodioxol-5-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid phenethyl ester IUPAC Name: phenethyl 6-(6-bromo-1,3-benzodioxol-5-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(6-bromo-1,3-benzodioxol-5-yl)-2-keto-3,4-dimethyl-1,6-dihydropyrimidine-5-carboxylic acid phenethyl ester Formula: C22H21BrN2O5 MolecularWeight: 473.31654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1C)C2=CC3=C(C=C2Br)OCO3)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(NC(=O)N1C)C2=CC3=C(C=C2Br)OCO3)C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C22H21BrN2O5/c1-13-19(21(26)28-9-8-14-6-4-3-5-7-14)20(24-22(27)25(13)2)15-10-17-18(11-16(15)23)30-12-29-17/h3-7,10-11,20H,8-9,12H2,1-2H3,(H,24,27)