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

Systemtic Name: methyl 2-[2-[(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methylthio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[(6-chloro-4-keto-1H-quinazolin-2-yl)methylthio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C16H13ClN4O4S MolecularWeight: 392.81682

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCC2=NC(=O)C3=C(N2)C=CC(=C3)Cl

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCC2=NC(=O)C3=C(N2)C=CC(=C3)Cl

InChI

InChI=1S/C16H13ClN4O4S/c1-25-14(23)6-9-5-13(22)21-16(18-9)26-7-12-19-11-3-2-8(17)4-10(11)15(24)20-12/h2-5H,6-7H2,1H3,(H,18,21,22)(H,19,20,24)