3,5,5-trimethyl-1-phenyl-2-sulfanylidene-1,3-diazinan-4-one

Systemtic Name: 3,5,5-trimethyl-1-phenyl-2-sulfanylidene-1,3-diazinan-4-one Openeye Name: 3,5,5-trimethyl-1-phenyl-2-thioxo-hexahydropyrimidin-4-one CAS Name: 3,5,5-trimethyl-1-phenyl-2-sulfanylidene-1,3-diazinan-4-one IUPAC Name: 3,5,5-trimethyl-1-phenyl-2-sulfanylidene-1,3-diazinan-4-one Traditional Name: 3,5,5-trimethyl-1-phenyl-2-thioxo-hexahydropyrimidin-4-one Formula: C13H16N2OS MolecularWeight: 248.34394

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C(=S)N(C1=O)C)C2=CC=CC=C2)C

Isomeric SMILES

CC1(CN(C(=S)N(C1=O)C)C2=CC=CC=C2)C

InChI

InChI=1S/C13H16N2OS/c1-13(2)9-15(10-7-5-4-6-8-10)12(17)14(3)11(13)16/h4-8H,9H2,1-3H3