methyl 2-[2-[(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-4-oxo-quinazolin-3-yl]acetate CAS Name: 2-[2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylthio]-4-oxo-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-4-oxoquinazolin-3-yl]acetate Traditional Name: 2-[4-keto-2-[(4-keto-8-methyl-1H-quinazolin-2-yl)methylthio]quinazolin-3-yl]acetic acid methyl ester Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NC4=CC=CC=C4C(=O)N3CC(=O)OC

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NC4=CC=CC=C4C(=O)N3CC(=O)OC

InChI

InChI=1S/C21H18N4O4S/c1-12-6-5-8-14-18(12)23-16(24-19(14)27)11-30-21-22-15-9-4-3-7-13(15)20(28)25(21)10-17(26)29-2/h3-9H,10-11H2,1-2H3,(H,23,24,27)