propan-2-yl 6-[3-(1,3-benzodioxol-5-ylcarbonylamino)phenyl]-3-butyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: propan-2-yl 6-[3-(1,3-benzodioxol-5-ylcarbonylamino)phenyl]-3-butyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 6-[3-(1,3-benzodioxole-5-carbonylamino)phenyl]-3-butyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[3-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]phenyl]-3-butyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-[3-(1,3-benzodioxole-5-carbonylamino)phenyl]-3-butyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-2-keto-4-methyl-6-[3-(piperonyloylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C27H31N3O6 MolecularWeight: 493.55154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)OC(C)C)C

Isomeric SMILES

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)OC(C)C)C

InChI

InChI=1S/C27H31N3O6/c1-5-6-12-30-17(4)23(26(32)36-16(2)3)24(29-27(30)33)18-8-7-9-20(13-18)28-25(31)19-10-11-21-22(14-19)35-15-34-21/h7-11,13-14,16,24H,5-6,12,15H2,1-4H3,(H,28,31)(H,29,33)