N-(6-chloranylquinolin-8-yl)-4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanamide

Systemtic Name: N-(6-chloranylquinolin-8-yl)-4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanamide Openeye Name: N-(6-chloro-8-quinolyl)-4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butanamide CAS Name: N-(6-chloro-8-quinolinyl)-4-(1,3-dimethyl-2,6-dioxo-7-purinyl)butanamide IUPAC Name: N-(6-chloroquinolin-8-yl)-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanamide Traditional Name: N-(6-chloro-8-quinolyl)-4-(2,6-diketo-1,3-dimethyl-purin-7-yl)butyramide Formula: C20H19ClN6O3 MolecularWeight: 426.85626

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)NC3=C4C(=CC(=C3)Cl)C=CC=N4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)NC3=C4C(=CC(=C3)Cl)C=CC=N4

InChI

InChI=1S/C20H19ClN6O3/c1-25-18-17(19(29)26(2)20(25)30)27(11-23-18)8-4-6-15(28)24-14-10-13(21)9-12-5-3-7-22-16(12)14/h3,5,7,9-11H,4,6,8H2,1-2H3,(H,24,28)