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

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(pyridin-3-ylmethyl)butanamide Openeye Name: 4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(3-pyridylmethyl)butanamide CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(3-pyridinylmethyl)butanamide IUPAC Name: 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(pyridin-3-ylmethyl)butanamide Traditional Name: 4-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(3-pyridylmethyl)butyramide Formula: C17H20N6O3 MolecularWeight: 356.3791

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)NCC3=CN=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C17H20N6O3/c1-21-15-14(16(25)22(2)17(21)26)23(11-20-15)8-4-6-13(24)19-10-12-5-3-7-18-9-12/h3,5,7,9,11H,4,6,8,10H2,1-2H3,(H,19,24)