2-[7-butyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-cyclopentyl-ethanamide

Systemtic Name: 2-[7-butyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-cyclopentyl-ethanamide Openeye Name: 2-(7-butyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-N-cyclopentyl-acetamide CAS Name: 2-[(7-butyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]-N-cyclopentylacetamide IUPAC Name: 2-(7-butyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanyl-N-cyclopentylacetamide Traditional Name: 2-[(7-butyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]-N-cyclopentyl-acetamide Formula: C18H27N5O3S MolecularWeight: 393.50368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1SCC(=O)NC3CCCC3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCN1C2=C(N=C1SCC(=O)NC3CCCC3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H27N5O3S/c1-4-5-10-23-14-15(21(2)18(26)22(3)16(14)25)20-17(23)27-11-13(24)19-12-8-6-7-9-12/h12H,4-11H2,1-3H3,(H,19,24)