2-(2-methylpropylsulfanyl)-6-phenyl-5-prop-2-enyl-1,3-diazinan-4-one; pentane

Systemtic Name: 2-(2-methylpropylsulfanyl)-6-phenyl-5-prop-2-enyl-1,3-diazinan-4-one; pentane Openeye Name: 5-allyl-2-isobutylsulfanyl-6-phenyl-hexahydropyrimidin-4-one; pentane CAS Name: 2-(2-methylpropylthio)-6-phenyl-5-prop-2-enyl-1,3-diazinan-4-one; pentane IUPAC Name: 2-(2-methylpropylsulfanyl)-6-phenyl-5-prop-2-enyl-1,3-diazinan-4-one; pentane Traditional Name: 5-allyl-2-(isobutylthio)-6-phenyl-hexahydropyrimidin-4-one; n-pentane Formula: C22H36N2OS MolecularWeight: 376.59904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC.CC(C)CSC1NC(C(C(=O)N1)CC=C)C2=CC=CC=C2

Isomeric SMILES

CCCCC.CC(C)CSC1NC(C(C(=O)N1)CC=C)C2=CC=CC=C2

InChI

InChI=1S/C17H24N2OS.C5H12/c1-4-8-14-15(13-9-6-5-7-10-13)18-17(19-16(14)20)21-11-12(2)3;1-3-5-4-2/h4-7,9-10,12,14-15,17-18H,1,8,11H2,2-3H3,(H,19,20);3-5H2,1-2H3