N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-N-cyclopentyl-ethanamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-N-cyclopentyl-ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-N-cyclopentyl-acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-N-cyclopentylacetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-N-cyclopentylacetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]-N-cyclopentyl-acetamide Formula: C23H30N6O3S MolecularWeight: 470.5877

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N6O3S/c1-4-5-10-28-20(25)19(21(31)27-23(28)32)29(16-8-6-7-9-16)18(30)13-33-22-17(12-24)14(2)11-15(3)26-22/h11,16H,4-10,13,25H2,1-3H3,(H,27,31,32)