methyl 3-[2-[(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]propanoate

Systemtic Name: methyl 3-[2-[(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methylthio]-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[2-[(6-chloro-4-keto-1H-quinazolin-2-yl)methylthio]-4-keto-quinazolin-3-yl]propionic acid methyl ester Formula: C21H17ClN4O4S MolecularWeight: 456.90208

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl

Isomeric SMILES

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl

InChI

InChI=1S/C21H17ClN4O4S/c1-30-18(27)8-9-26-20(29)13-4-2-3-5-15(13)24-21(26)31-11-17-23-16-7-6-12(22)10-14(16)19(28)25-17/h2-7,10H,8-9,11H2,1H3,(H,23,25,28)