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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-2-[(3-methylphenyl)methylsulfanyl]ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-2-(m-tolylmethylsulfanyl)acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-butyl-2-[(3-methylphenyl)methylthio]acetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[(3-methylphenyl)methylsulfanyl]acetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-2-[(3-methylbenzyl)thio]acetamide Formula: C22H32N4O3S MolecularWeight: 432.57948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)CSCC2=CC=CC(=C2)C)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)CSCC2=CC=CC(=C2)C)N

InChI

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