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

Systemtic Name: methyl 2-[4-oxidanylidene-2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[4-oxo-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-1H-pyrimidin-6-yl]acetate CAS Name: 2-[4-oxo-2-[(4-oxo-1H-quinazolin-2-yl)methylthio]-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[4-keto-2-[(4-keto-1H-quinazolin-2-yl)methylthio]-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C16H14N4O4S MolecularWeight: 358.37176

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C16H14N4O4S/c1-24-14(22)7-9-6-13(21)20-16(17-9)25-8-12-18-11-5-3-2-4-10(11)15(23)19-12/h2-6H,7-8H2,1H3,(H,17,20,21)(H,18,19,23)