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

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(2-piperidin-1-ylphenyl)butanamide Openeye Name: 4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-[2-(1-piperidyl)phenyl]butanamide CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[2-(1-piperidinyl)phenyl]butanamide IUPAC Name: 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-piperidin-1-ylphenyl)butanamide Traditional Name: 4-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(2-piperidinophenyl)butyramide Formula: C22H28N6O3 MolecularWeight: 424.49612

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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=CC=C3N4CCCCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)NC3=CC=CC=C3N4CCCCC4

InChI

InChI=1S/C22H28N6O3/c1-25-20-19(21(30)26(2)22(25)31)28(15-23-20)14-8-11-18(29)24-16-9-4-5-10-17(16)27-12-6-3-7-13-27/h4-5,9-10,15H,3,6-8,11-14H2,1-2H3,(H,24,29)