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

Systemtic Name: 6-chloranyl-N-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butyl]pyridine-3-carboxamide Openeye Name: 6-chloro-N-[4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butyl]pyridine-3-carboxamide CAS Name: 6-chloro-N-[4-(1,3-dimethyl-2,6-dioxo-7-purinyl)butyl]-3-pyridinecarboxamide IUPAC Name: 6-chloro-N-[4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butyl]pyridine-3-carboxamide Traditional Name: 6-chloro-N-[4-(2,6-diketo-1,3-dimethyl-purin-7-yl)butyl]nicotinamide Formula: C17H19ClN6O3 MolecularWeight: 390.82416

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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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN6O3/c1-22-14-13(16(26)23(2)17(22)27)24(10-21-14)8-4-3-7-19-15(25)11-5-6-12(18)20-9-11/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,19,25)