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

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(2-thiophen-2-ylethyl)butanamide Openeye Name: 4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-[2-(2-thienyl)ethyl]butanamide CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(2-thiophen-2-ylethyl)butanamide IUPAC Name: 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-thiophen-2-ylethyl)butanamide Traditional Name: 4-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-[2-(2-thienyl)ethyl]butyramide Formula: C17H21N5O3S MolecularWeight: 375.44534

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)NCCC3=CC=CS3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)NCCC3=CC=CS3

InChI

InChI=1S/C17H21N5O3S/c1-20-15-14(16(24)21(2)17(20)25)22(11-19-15)9-3-6-13(23)18-8-7-12-5-4-10-26-12/h4-5,10-11H,3,6-9H2,1-2H3,(H,18,23)