4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-quinolin-5-yl-butanamide

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-quinolin-5-yl-butanamide Openeye Name: 4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(5-quinolyl)butanamide CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(5-quinolinyl)butanamide IUPAC Name: 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-quinolin-5-ylbutanamide Traditional Name: 4-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(5-quinolyl)butyramide Formula: C20H20N6O3 MolecularWeight: 392.4112

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)NC3=CC=CC4=C3C=CC=N4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)NC3=CC=CC4=C3C=CC=N4

InChI

InChI=1S/C20H20N6O3/c1-24-18-17(19(28)25(2)20(24)29)26(12-22-18)11-5-9-16(27)23-15-8-3-7-14-13(15)6-4-10-21-14/h3-4,6-8,10,12H,5,9,11H2,1-2H3,(H,23,27)