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

Systemtic Name: 5-(3-methylbutyl)-6-phenyl-2-sulfanylidene-1,3-diazinan-4-one Openeye Name: 5-isopentyl-6-phenyl-2-thioxo-hexahydropyrimidin-4-one CAS Name: 5-(3-methylbutyl)-6-phenyl-2-sulfanylidene-1,3-diazinan-4-one IUPAC Name: 5-(3-methylbutyl)-6-phenyl-2-sulfanylidene-1,3-diazinan-4-one Traditional Name: 5-isoamyl-6-phenyl-2-thioxo-hexahydropyrimidin-4-one Formula: C15H20N2OS MolecularWeight: 276.3971

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1C(NC(=S)NC1=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)CCC1C(NC(=S)NC1=O)C2=CC=CC=C2

InChI

InChI=1S/C15H20N2OS/c1-10(2)8-9-12-13(11-6-4-3-5-7-11)16-15(19)17-14(12)18/h3-7,10,12-13H,8-9H2,1-2H3,(H2,16,17,18,19)