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

Systemtic Name: 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(pyridin-4-ylmethyl)propanamide Openeye Name: 3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(4-pyridylmethyl)propanamide CAS Name: 3-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(pyridin-4-ylmethyl)propanamide IUPAC Name: 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(pyridin-4-ylmethyl)propanamide Traditional Name: 3-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(4-pyridylmethyl)propionamide Formula: C16H18N6O3 MolecularWeight: 342.35252

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NCC3=CC=NC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NCC3=CC=NC=C3

InChI

InChI=1S/C16H18N6O3/c1-20-14-13(15(24)21(2)16(20)25)22(10-19-14)8-5-12(23)18-9-11-3-6-17-7-4-11/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,18,23)