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5-heptyl-2-(2-methylprop-2-enylsulfanyl)-6-phenyl-1,3-diazinan-4-one

Systemtic Name:	5-heptyl-2-(2-methylprop-2-enylsulfanyl)-6-phenyl-1,3-diazinan-4-one
Openeye Name:	5-heptyl-2-(2-methylallylsulfanyl)-6-phenyl-hexahydropyrimidin-4-one
CAS Name:	5-heptyl-2-(2-methylprop-2-enylthio)-6-phenyl-1,3-diazinan-4-one
IUPAC Name:	5-heptyl-2-(2-methylprop-2-enylsulfanyl)-6-phenyl-1,3-diazinan-4-one
Traditional Name:	5-heptyl-2-(2-methylallylthio)-6-phenyl-hexahydropyrimidin-4-one
Formula:	C₂₁H₃₂N₂OS
MolecularWeight:	360.55658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C(NC(NC1=O)SCC(=C)C)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCC1C(NC(NC1=O)SCC(=C)C)C2=CC=CC=C2

InChI

InChI=1S/C21H32N2OS/c1-4-5-6-7-11-14-18-19(17-12-9-8-10-13-17)22-21(23-20(18)24)25-15-16(2)3/h8-10,12-13,18-19,21-22H,2,4-7,11,14-15H2,1,3H3,(H,23,24)

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