2-cyclopentylsulfanyl-5-pentyl-6-phenyl-1,3-diazinan-4-one

Systemtic Name: 2-cyclopentylsulfanyl-5-pentyl-6-phenyl-1,3-diazinan-4-one Openeye Name: 2-cyclopentylsulfanyl-5-pentyl-6-phenyl-hexahydropyrimidin-4-one CAS Name: 2-(cyclopentylthio)-5-pentyl-6-phenyl-1,3-diazinan-4-one IUPAC Name: 2-cyclopentylsulfanyl-5-pentyl-6-phenyl-1,3-diazinan-4-one Traditional Name: 5-amyl-2-(cyclopentylthio)-6-phenyl-hexahydropyrimidin-4-one Formula: C20H30N2OS MolecularWeight: 346.53

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(NC(NC1=O)SC2CCCC2)C3=CC=CC=C3

Isomeric SMILES

CCCCCC1C(NC(NC1=O)SC2CCCC2)C3=CC=CC=C3

InChI

InChI=1S/C20H30N2OS/c1-2-3-5-14-17-18(15-10-6-4-7-11-15)21-20(22-19(17)23)24-16-12-8-9-13-16/h4,6-7,10-11,16-18,20-21H,2-3,5,8-9,12-14H2,1H3,(H,22,23)