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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(4-methylphenyl)sulfanyl-N-pentyl-ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-pentyl-2-(p-tolylsulfanyl)acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-[(4-methylphenyl)thio]-N-pentylacetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-methylphenyl)sulfanyl-N-pentylacetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-amyl-2-(p-tolylthio)acetamide Formula: C22H32N4O3S MolecularWeight: 432.57948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CSC2=CC=C(C=C2)C

Isomeric SMILES

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CSC2=CC=C(C=C2)C

InChI

InChI=1S/C22H32N4O3S/c1-4-6-8-14-25(18(27)15-30-17-11-9-16(3)10-12-17)19-20(23)26(13-7-5-2)22(29)24-21(19)28/h9-12H,4-8,13-15,23H2,1-3H3,(H,24,28,29)