methyl 2-[2-[3-(3,5-dimethylphenoxy)propylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-[3-(3,5-dimethylphenoxy)propylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[3-(3,5-dimethylphenoxy)propylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[3-(3,5-dimethylphenoxy)propylthio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[3-(3,5-dimethylphenoxy)propylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[3-(3,5-dimethylphenoxy)propylthio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCCSC2=NC(=O)C=C(N2)CC(=O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCCSC2=NC(=O)C=C(N2)CC(=O)OC)C

InChI

InChI=1S/C18H22N2O4S/c1-12-7-13(2)9-15(8-12)24-5-4-6-25-18-19-14(10-16(21)20-18)11-17(22)23-3/h7-10H,4-6,11H2,1-3H3,(H,19,20,21)