2-[[5-(3-methylbutyl)-4-oxidanylidene-6-phenyl-1,3-diazinan-2-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-(3-methylbutyl)-4-oxidanylidene-6-phenyl-1,3-diazinan-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-(5-isopentyl-4-oxo-6-phenyl-hexahydropyrimidin-2-yl)sulfanylacetic acid CAS Name: 2-[[5-(3-methylbutyl)-4-oxo-6-phenyl-1,3-diazinan-2-yl]thio]acetic acid IUPAC Name: 2-[[5-(3-methylbutyl)-4-oxo-6-phenyl-1,3-diazinan-2-yl]sulfanyl]acetic acid Traditional Name: 2-[(5-isoamyl-4-keto-6-phenyl-hexahydropyrimidin-2-yl)thio]acetic acid Formula: C17H24N2O3S MolecularWeight: 336.44906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O3S/c1-11(2)8-9-13-15(12-6-4-3-5-7-12)18-17(19-16(13)22)23-10-14(20)21/h3-7,11,13,15,17-18H,8-10H2,1-2H3,(H,19,22)(H,20,21)