N-(5-chloranylpyridin-2-yl)-2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]ethanamide

Systemtic Name: N-(5-chloranylpyridin-2-yl)-2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]ethanamide Openeye Name: N-(5-chloro-2-pyridyl)-2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)acetamide CAS Name: N-(5-chloro-2-pyridinyl)-2-(3,7-dimethyl-2,6-dioxo-1-purinyl)acetamide IUPAC Name: N-(5-chloropyridin-2-yl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide Traditional Name: N-(5-chloro-2-pyridyl)-2-(2,6-diketo-3,7-dimethyl-purin-1-yl)acetamide Formula: C14H13ClN6O3 MolecularWeight: 348.74442

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)NC3=NC=C(C=C3)Cl

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)NC3=NC=C(C=C3)Cl

InChI

InChI=1S/C14H13ClN6O3/c1-19-7-17-12-11(19)13(23)21(14(24)20(12)2)6-10(22)18-9-4-3-8(15)5-16-9/h3-5,7H,6H2,1-2H3,(H,16,18,22)