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

Systemtic Name: 6-chloranyl-N-[3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propyl]pyridine-3-carboxamide Openeye Name: 6-chloro-N-[3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propyl]pyridine-3-carboxamide CAS Name: 6-chloro-N-[3-(1,3-dimethyl-2,6-dioxo-7-purinyl)propyl]-3-pyridinecarboxamide IUPAC Name: 6-chloro-N-[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propyl]pyridine-3-carboxamide Traditional Name: 6-chloro-N-[3-(2,6-diketo-1,3-dimethyl-purin-7-yl)propyl]nicotinamide Formula: C16H17ClN6O3 MolecularWeight: 376.79758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN6O3/c1-21-13-12(15(25)22(2)16(21)26)23(9-20-13)7-3-6-18-14(24)10-4-5-11(17)19-8-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,18,24)