5-(2-methylpropyl)-6-phenyl-2-sulfanylidene-1,3-diazinan-4-one

Systemtic Name: 5-(2-methylpropyl)-6-phenyl-2-sulfanylidene-1,3-diazinan-4-one Openeye Name: 5-isobutyl-6-phenyl-2-thioxo-hexahydropyrimidin-4-one CAS Name: 5-(2-methylpropyl)-6-phenyl-2-sulfanylidene-1,3-diazinan-4-one IUPAC Name: 5-(2-methylpropyl)-6-phenyl-2-sulfanylidene-1,3-diazinan-4-one Traditional Name: 5-isobutyl-6-phenyl-2-thioxo-hexahydropyrimidin-4-one Formula: C14H18N2OS MolecularWeight: 262.37052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(NC(=S)NC1=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)CC1C(NC(=S)NC1=O)C2=CC=CC=C2

InChI

InChI=1S/C14H18N2OS/c1-9(2)8-11-12(10-6-4-3-5-7-10)15-14(18)16-13(11)17/h3-7,9,11-12H,8H2,1-2H3,(H2,15,16,17,18)