methyl 2-[4-oxidanylidene-2-[(4-propan-2-ylphenyl)methylsulfanyl]-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[4-oxidanylidene-2-[(4-propan-2-ylphenyl)methylsulfanyl]-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[(4-isopropylphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[4-oxo-2-[(4-propan-2-ylphenyl)methylthio]-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-2-[(4-propan-2-ylphenyl)methylsulfanyl]-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[(4-isopropylbenzyl)thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CSC2=NC(=O)C=C(N2)CC(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CSC2=NC(=O)C=C(N2)CC(=O)OC

InChI

InChI=1S/C17H20N2O3S/c1-11(2)13-6-4-12(5-7-13)10-23-17-18-14(8-15(20)19-17)9-16(21)22-3/h4-8,11H,9-10H2,1-3H3,(H,18,19,20)