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

Systemtic Name: N-(3-cyanothiophen-2-yl)-4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanamide Openeye Name: N-(3-cyano-2-thienyl)-4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butanamide CAS Name: N-(3-cyano-2-thiophenyl)-4-(1,3-dimethyl-2,6-dioxo-7-purinyl)butanamide IUPAC Name: N-(3-cyanothiophen-2-yl)-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanamide Traditional Name: N-(3-cyano-2-thienyl)-4-(2,6-diketo-1,3-dimethyl-purin-7-yl)butyramide Formula: C16H16N6O3S MolecularWeight: 372.40164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N6O3S/c1-20-13-12(15(24)21(2)16(20)25)22(9-18-13)6-3-4-11(23)19-14-10(8-17)5-7-26-14/h5,7,9H,3-4,6H2,1-2H3,(H,19,23)