butyl 2-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]ethanoate

Systemtic Name: butyl 2-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]ethanoate Openeye Name: butyl 2-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)acetate CAS Name: 2-[6-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]acetic acid butyl ester IUPAC Name: butyl 2-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)acetate Traditional Name: 2-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]acetic acid butyl ester Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC1=C(NC(=NC1=O)SCC2=CC=CC=C2)C

Isomeric SMILES

CCCCOC(=O)CC1=C(NC(=NC1=O)SCC2=CC=CC=C2)C

InChI

InChI=1S/C18H22N2O3S/c1-3-4-10-23-16(21)11-15-13(2)19-18(20-17(15)22)24-12-14-8-6-5-7-9-14/h5-9H,3-4,10-12H2,1-2H3,(H,19,20,22)