2-(3-methylbutylsulfanyl)-6-phenyl-5-(phenylmethyl)-1,3-diazinan-4-one

Systemtic Name: 2-(3-methylbutylsulfanyl)-6-phenyl-5-(phenylmethyl)-1,3-diazinan-4-one Openeye Name: 5-benzyl-2-isopentylsulfanyl-6-phenyl-hexahydropyrimidin-4-one CAS Name: 2-(3-methylbutylthio)-6-phenyl-5-(phenylmethyl)-1,3-diazinan-4-one IUPAC Name: 5-benzyl-2-(3-methylbutylsulfanyl)-6-phenyl-1,3-diazinan-4-one Traditional Name: 5-benzyl-2-(isoamylthio)-6-phenyl-hexahydropyrimidin-4-one Formula: C22H28N2OS MolecularWeight: 368.53552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1NC(C(C(=O)N1)CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCSC1NC(C(C(=O)N1)CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H28N2OS/c1-16(2)13-14-26-22-23-20(18-11-7-4-8-12-18)19(21(25)24-22)15-17-9-5-3-6-10-17/h3-12,16,19-20,22-23H,13-15H2,1-2H3,(H,24,25)