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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(2-methylphenyl)sulfanyl-N-pentyl-ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-(o-tolylsulfanyl)-N-pentyl-acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-[(2-methylphenyl)thio]-N-pentylacetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2-methylphenyl)sulfanyl-N-pentylacetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-amyl-2-(o-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=CC=C2C

Isomeric SMILES

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CSC2=CC=CC=C2C

InChI

InChI=1S/C22H32N4O3S/c1-4-6-10-14-25(18(27)15-30-17-12-9-8-11-16(17)3)19-20(23)26(13-7-5-2)22(29)24-21(19)28/h8-9,11-12H,4-7,10,13-15,23H2,1-3H3,(H,24,28,29)