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

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-pyridin-4-yl-butanamide Openeye Name: 4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(4-pyridyl)butanamide CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-pyridin-4-ylbutanamide IUPAC Name: 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pyridin-4-ylbutanamide Traditional Name: 4-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(4-pyridyl)butyramide 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)CCCC(=O)NC3=CC=NC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)NC3=CC=NC=C3

InChI

InChI=1S/C16H18N6O3/c1-20-14-13(15(24)21(2)16(20)25)22(10-18-14)9-3-4-12(23)19-11-5-7-17-8-6-11/h5-8,10H,3-4,9H2,1-2H3,(H,17,19,23)