N-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butyl]pyridine-3-carboxamide

Systemtic Name: N-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butyl]pyridine-3-carboxamide Openeye Name: N-[4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butyl]pyridine-3-carboxamide CAS Name: N-[4-(1,3-dimethyl-2,6-dioxo-7-purinyl)butyl]-3-pyridinecarboxamide IUPAC Name: N-[4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butyl]pyridine-3-carboxamide Traditional Name: N-[4-(2,6-diketo-1,3-dimethyl-purin-7-yl)butyl]nicotinamide 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)CCCCNC(=O)C3=CN=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C17H20N6O3/c1-21-14-13(16(25)22(2)17(21)26)23(11-20-14)9-4-3-8-19-15(24)12-6-5-7-18-10-12/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,19,24)