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

Systemtic Name: 5-butyl-2-cyclopentylsulfanyl-6-phenyl-1,3-diazinan-4-one Openeye Name: 5-butyl-2-cyclopentylsulfanyl-6-phenyl-hexahydropyrimidin-4-one CAS Name: 5-butyl-2-(cyclopentylthio)-6-phenyl-1,3-diazinan-4-one IUPAC Name: 5-butyl-2-cyclopentylsulfanyl-6-phenyl-1,3-diazinan-4-one Traditional Name: 5-butyl-2-(cyclopentylthio)-6-phenyl-hexahydropyrimidin-4-one Formula: C19H28N2OS MolecularWeight: 332.50342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(NC(NC1=O)SC2CCCC2)C3=CC=CC=C3

Isomeric SMILES

CCCCC1C(NC(NC1=O)SC2CCCC2)C3=CC=CC=C3

InChI

InChI=1S/C19H28N2OS/c1-2-3-13-16-17(14-9-5-4-6-10-14)20-19(21-18(16)22)23-15-11-7-8-12-15/h4-6,9-10,15-17,19-20H,2-3,7-8,11-13H2,1H3,(H,21,22)