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

Systemtic Name: 2-[[5-[(2,4-dimethylphenyl)methyl]-4-oxidanylidene-6-phenyl-1,3-diazinan-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[5-[(2,4-dimethylphenyl)methyl]-4-oxo-6-phenyl-hexahydropyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[5-[(2,4-dimethylphenyl)methyl]-4-oxo-6-phenyl-1,3-diazinan-2-yl]thio]acetic acid IUPAC Name: 2-[[5-[(2,4-dimethylphenyl)methyl]-4-oxo-6-phenyl-1,3-diazinan-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(2,4-dimethylbenzyl)-4-keto-6-phenyl-hexahydropyrimidin-2-yl]thio]acetic acid Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CC2C(NC(NC2=O)SCC(=O)O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)CC2C(NC(NC2=O)SCC(=O)O)C3=CC=CC=C3)C

InChI

InChI=1S/C21H24N2O3S/c1-13-8-9-16(14(2)10-13)11-17-19(15-6-4-3-5-7-15)22-21(23-20(17)26)27-12-18(24)25/h3-10,17,19,21-22H,11-12H2,1-2H3,(H,23,26)(H,24,25)