2-butyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-10-methyl-pyrimido[4,5-b]quinoline-4,5-dione

Systemtic Name: 2-butyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-10-methyl-pyrimido[4,5-b]quinoline-4,5-dione Openeye Name: 2-butyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-10-methyl-pyrimido[4,5-b]quinoline-4,5-dione CAS Name: 2-butyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-10-methylpyrimido[4,5-b]quinoline-4,5-dione IUPAC Name: 2-butyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-10-methylpyrimido[4,5-b]quinoline-4,5-dione Traditional Name: 2-butyl-3-homoveratryl-10-methyl-pyrimido[4,5-b]quinoline-4,5-quinone Formula: C26H29N3O4 MolecularWeight: 447.52616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C(=O)C3=CC=CC=C3N2C)C(=O)N1CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCCCC1=NC2=C(C(=O)C3=CC=CC=C3N2C)C(=O)N1CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H29N3O4/c1-5-6-11-22-27-25-23(24(30)18-9-7-8-10-19(18)28(25)2)26(31)29(22)15-14-17-12-13-20(32-3)21(16-17)33-4/h7-10,12-13,16H,5-6,11,14-15H2,1-4H3