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

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(thiophen-2-ylmethyl)butanamide Openeye Name: 4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(2-thienylmethyl)butanamide CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(thiophen-2-ylmethyl)butanamide IUPAC Name: 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(thiophen-2-ylmethyl)butanamide Traditional Name: 4-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(2-thenyl)butyramide Formula: C16H19N5O3S MolecularWeight: 361.41876

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)NCC3=CC=CS3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)NCC3=CC=CS3

InChI

InChI=1S/C16H19N5O3S/c1-19-14-13(15(23)20(2)16(19)24)21(10-18-14)7-3-6-12(22)17-9-11-5-4-8-25-11/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,17,22)