2-cyclopentylsulfanyl-5,6-bis(phenylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-cyclopentylsulfanyl-5,6-bis(phenylmethyl)-1H-pyrimidin-4-one Openeye Name: 5,6-dibenzyl-2-cyclopentylsulfanyl-1H-pyrimidin-4-one CAS Name: 2-(cyclopentylthio)-5,6-bis(phenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 5,6-dibenzyl-2-cyclopentylsulfanyl-1H-pyrimidin-4-one Traditional Name: 5,6-dibenzyl-2-(cyclopentylthio)-1H-pyrimidin-4-one Formula: C23H24N2OS MolecularWeight: 376.51446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)SC2=NC(=O)C(=C(N2)CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)SC2=NC(=O)C(=C(N2)CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H24N2OS/c26-22-20(15-17-9-3-1-4-10-17)21(16-18-11-5-2-6-12-18)24-23(25-22)27-19-13-7-8-14-19/h1-6,9-12,19H,7-8,13-16H2,(H,24,25,26)