2-butylsulfanyl-5-cyclopentyl-6-phenyl-1,3-diazinan-4-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1NC(C(C(=O)N1)C2CCCC2)C3=CC=CC=C3

Isomeric SMILES

CCCCSC1NC(C(C(=O)N1)C2CCCC2)C3=CC=CC=C3

InChI

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