methyl 4-oxidanylidene-2-[(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylmethyl]-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-[(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylmethyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(3-allyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]methyl]-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-[(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylmethyl]-1H-quinazoline-7-carboxylate Traditional Name: 2-[[(3-allyl-4-keto-quinazolin-2-yl)thio]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NC4=CC=CC=C4C(=O)N3CC=C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NC4=CC=CC=C4C(=O)N3CC=C

InChI

InChI=1S/C22H18N4O4S/c1-3-10-26-20(28)15-6-4-5-7-16(15)24-22(26)31-12-18-23-17-11-13(21(29)30-2)8-9-14(17)19(27)25-18/h3-9,11H,1,10,12H2,2H3,(H,23,25,27)