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

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-10-methyl-2-thiophen-2-yl-pyrimido[4,5-b]quinoline-4,5-dione Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-10-methyl-2-(2-thienyl)pyrimido[4,5-b]quinoline-4,5-dione CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-10-methyl-2-thiophen-2-ylpyrimido[4,5-b]quinoline-4,5-dione IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-10-methyl-2-thiophen-2-ylpyrimido[4,5-b]quinoline-4,5-dione Traditional Name: 3-homoveratryl-10-methyl-2-(2-thienyl)pyrimido[4,5-b]quinoline-4,5-quinone Formula: C26H23N3O4S MolecularWeight: 473.54352

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)C3=C1N=C(N(C3=O)CCC4=CC(=C(C=C4)OC)OC)C5=CC=CS5

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)C3=C1N=C(N(C3=O)CCC4=CC(=C(C=C4)OC)OC)C5=CC=CS5

InChI

InChI=1S/C26H23N3O4S/c1-28-18-8-5-4-7-17(18)23(30)22-25(28)27-24(21-9-6-14-34-21)29(26(22)31)13-12-16-10-11-19(32-2)20(15-16)33-3/h4-11,14-15H,12-13H2,1-3H3