5,5-dimethyl-3-(phenylmethyl)-2-sulfanylidene-1,3-diazinan-4-one

Systemtic Name: 5,5-dimethyl-3-(phenylmethyl)-2-sulfanylidene-1,3-diazinan-4-one Openeye Name: 3-benzyl-5,5-dimethyl-2-thioxo-hexahydropyrimidin-4-one CAS Name: 5,5-dimethyl-3-(phenylmethyl)-2-sulfanylidene-1,3-diazinan-4-one IUPAC Name: 3-benzyl-5,5-dimethyl-2-sulfanylidene-1,3-diazinan-4-one Traditional Name: 3-benzyl-5,5-dimethyl-2-thioxo-hexahydropyrimidin-4-one Formula: C13H16N2OS MolecularWeight: 248.34394

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CNC(=S)N(C1=O)CC2=CC=CC=C2)C

Isomeric SMILES

CC1(CNC(=S)N(C1=O)CC2=CC=CC=C2)C

InChI

InChI=1S/C13H16N2OS/c1-13(2)9-14-12(17)15(11(13)16)8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,14,17)