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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-2-[(2-methylphenyl)methylsulfanyl]ethanamide Openeye Name: N-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-N-butyl-2-(o-tolylmethylsulfanyl)acetamide CAS Name: N-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-N-butyl-2-[(2-methylphenyl)methylthio]acetamide IUPAC Name: N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[(2-methylphenyl)methylsulfanyl]acetamide Traditional Name: N-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-N-butyl-2-[(2-methylbenzyl)thio]acetamide Formula: C21H30N4O3S MolecularWeight: 418.5529

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)CSCC2=CC=CC=C2C

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)CSCC2=CC=CC=C2C

InChI

InChI=1S/C21H30N4O3S/c1-4-6-12-24(17(26)14-29-13-16-10-8-7-9-15(16)3)18-19(22)25(11-5-2)21(28)23-20(18)27/h7-10H,4-6,11-14,22H2,1-3H3,(H,23,27,28)