6-[[6-(diphenylmethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]hexanoic acid

Systemtic Name: 6-[[6-(diphenylmethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]hexanoic acid Openeye Name: 6-[(6-benzhydryl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]hexanoic acid CAS Name: 6-[[6-(diphenylmethyl)-4-oxo-1H-pyrimidin-2-yl]thio]hexanoic acid IUPAC Name: 6-[(6-benzhydryl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]hexanoic acid Traditional Name: 6-[(6-benzhydryl-4-keto-1H-pyrimidin-2-yl)thio]hexanoic acid Formula: C23H24N2O3S MolecularWeight: 408.51326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC(=O)N=C(N3)SCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC(=O)N=C(N3)SCCCCCC(=O)O

InChI

InChI=1S/C23H24N2O3S/c26-20-16-19(24-23(25-20)29-15-9-3-8-14-21(27)28)22(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-2,4-7,10-13,16,22H,3,8-9,14-15H2,(H,27,28)(H,24,25,26)