5-heptyl-6-phenyl-2-sulfanylidene-1,3-diazinan-4-one

Systemtic Name: 5-heptyl-6-phenyl-2-sulfanylidene-1,3-diazinan-4-one Openeye Name: 5-heptyl-6-phenyl-2-thioxo-hexahydropyrimidin-4-one CAS Name: 5-heptyl-6-phenyl-2-sulfanylidene-1,3-diazinan-4-one IUPAC Name: 5-heptyl-6-phenyl-2-sulfanylidene-1,3-diazinan-4-one Traditional Name: 5-heptyl-6-phenyl-2-thioxo-hexahydropyrimidin-4-one Formula: C17H24N2OS MolecularWeight: 304.45026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C(NC(=S)NC1=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCC1C(NC(=S)NC1=O)C2=CC=CC=C2

InChI

InChI=1S/C17H24N2OS/c1-2-3-4-5-9-12-14-15(13-10-7-6-8-11-13)18-17(21)19-16(14)20/h6-8,10-11,14-15H,2-5,9,12H2,1H3,(H2,18,19,20,21)