ethyl 3-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxidanylidene-butyl]-6-(4-bromophenyl)-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxidanylidene-butyl]-6-(4-bromophenyl)-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxo-butyl]-6-(4-bromophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutyl]-6-(4-bromophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutyl]-6-(4-bromophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(4-bromophenyl)-2-keto-3-[4-keto-4-(piperonylamino)butyl]-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C26H28BrN3O6 MolecularWeight: 558.42102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)Br)CCCC(=O)NCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)Br)CCCC(=O)NCC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C26H28BrN3O6/c1-3-34-25(32)23-16(2)30(26(33)29-24(23)18-7-9-19(27)10-8-18)12-4-5-22(31)28-14-17-6-11-20-21(13-17)36-15-35-20/h6-11,13,24H,3-5,12,14-15H2,1-2H3,(H,28,31)(H,29,33)