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

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanamide Openeye Name: N-(3-cyano-2-thienyl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetamide CAS Name: N-(3-cyano-2-thiophenyl)-2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetamide IUPAC Name: N-(3-cyanothiophen-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide Traditional Name: N-(3-cyano-2-thienyl)-2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetamide Formula: C14H12N6O3S MolecularWeight: 344.34848

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C14H12N6O3S/c1-18-11-10(13(22)19(2)14(18)23)20(7-16-11)6-9(21)17-12-8(5-15)3-4-24-12/h3-4,7H,6H2,1-2H3,(H,17,21)