tert-butyl 2-[5-[(1-methylpyrazol-4-yl)methyl]-4-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[5-[(1-methylpyrazol-4-yl)methyl]-4-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanoate Openeye Name: tert-butyl 2-[2-benzylsulfanyl-5-[(1-methylpyrazol-4-yl)methyl]-4-oxo-pyrimidin-1-yl]acetate CAS Name: 2-[5-[(1-methyl-4-pyrazolyl)methyl]-4-oxo-2-(phenylmethylthio)-1-pyrimidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-benzylsulfanyl-5-[(1-methylpyrazol-4-yl)methyl]-4-oxopyrimidin-1-yl]acetate Traditional Name: 2-[2-(benzylthio)-4-keto-5-[(1-methylpyrazol-4-yl)methyl]pyrimidin-1-yl]acetic acid tert-butyl ester Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C=C(C(=O)N=C1SCC2=CC=CC=C2)CC3=CN(N=C3)C

Isomeric SMILES

CC(C)(C)OC(=O)CN1C=C(C(=O)N=C1SCC2=CC=CC=C2)CC3=CN(N=C3)C

InChI

InChI=1S/C22H26N4O3S/c1-22(2,3)29-19(27)14-26-13-18(10-17-11-23-25(4)12-17)20(28)24-21(26)30-15-16-8-6-5-7-9-16/h5-9,11-13H,10,14-15H2,1-4H3