N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-[(3-methylphenyl)methylsulfanyl]-N-pentyl-ethanamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-[(3-methylphenyl)methylsulfanyl]-N-pentyl-ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-(m-tolylmethylsulfanyl)-N-pentyl-acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-[(3-methylphenyl)methylthio]-N-pentylacetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(3-methylphenyl)methylsulfanyl]-N-pentylacetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-amyl-2-[(3-methylbenzyl)thio]acetamide Formula: C23H34N4O3S MolecularWeight: 446.60606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CSCC2=CC=CC(=C2)C

Isomeric SMILES

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CSCC2=CC=CC(=C2)C

InChI

InChI=1S/C23H34N4O3S/c1-4-6-8-13-26(19(28)16-31-15-18-11-9-10-17(3)14-18)20-21(24)27(12-7-5-2)23(30)25-22(20)29/h9-11,14H,4-8,12-13,15-16,24H2,1-3H3,(H,25,29,30)