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

Systemtic Name: 5-hexyl-6-phenyl-2-sulfanylidene-1,3-diazinan-4-one Openeye Name: 5-hexyl-6-phenyl-2-thioxo-hexahydropyrimidin-4-one CAS Name: 5-hexyl-6-phenyl-2-sulfanylidene-1,3-diazinan-4-one IUPAC Name: 5-hexyl-6-phenyl-2-sulfanylidene-1,3-diazinan-4-one Traditional Name: 5-hexyl-6-phenyl-2-thioxo-hexahydropyrimidin-4-one Formula: C16H22N2OS MolecularWeight: 290.42368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(NC(=S)NC1=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCC1C(NC(=S)NC1=O)C2=CC=CC=C2

InChI

InChI=1S/C16H22N2OS/c1-2-3-4-8-11-13-14(12-9-6-5-7-10-12)17-16(20)18-15(13)19/h5-7,9-10,13-14H,2-4,8,11H2,1H3,(H2,17,18,19,20)