propan-2-yl 2-[6-oxidanylidene-4-phenyl-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanoate

Systemtic Name: propan-2-yl 2-[6-oxidanylidene-4-phenyl-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanoate Openeye Name: isopropyl 2-(2-benzylsulfanyl-6-oxo-4-phenyl-pyrimidin-1-yl)acetate CAS Name: 2-[6-oxo-4-phenyl-2-(phenylmethylthio)-1-pyrimidinyl]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(2-benzylsulfanyl-6-oxo-4-phenylpyrimidin-1-yl)acetate Traditional Name: 2-[2-(benzylthio)-6-keto-4-phenyl-pyrimidin-1-yl]acetic acid isopropyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CN1C(=O)C=C(N=C1SCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)OC(=O)CN1C(=O)C=C(N=C1SCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O3S/c1-16(2)27-21(26)14-24-20(25)13-19(18-11-7-4-8-12-18)23-22(24)28-15-17-9-5-3-6-10-17/h3-13,16H,14-15H2,1-2H3