N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-cyclopentyl-2-pyridin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-cyclopentyl-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-cyclopentyl-2-(2-pyridylsulfanyl)acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-cyclopentyl-2-(2-pyridinylthio)acetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-cyclopentyl-2-(2-pyridylthio)acetamide Formula: C20H27N5O3S MolecularWeight: 417.52508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(C2CCCC2)C(=O)CSC3=CC=CC=N3)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(C2CCCC2)C(=O)CSC3=CC=CC=N3)N

InChI

InChI=1S/C20H27N5O3S/c1-2-3-12-24-18(21)17(19(27)23-20(24)28)25(14-8-4-5-9-14)16(26)13-29-15-10-6-7-11-22-15/h6-7,10-11,14H,2-5,8-9,12-13,21H2,1H3,(H,23,27,28)