methyl 4-oxidanylidene-2-(quinazolin-4-ylsulfanylmethyl)-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-(quinazolin-4-ylsulfanylmethyl)-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-(quinazolin-4-ylsulfanylmethyl)-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[(4-quinazolinylthio)methyl]-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-(quinazolin-4-ylsulfanylmethyl)-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[(quinazolin-4-ylthio)methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C19H14N4O3S MolecularWeight: 378.40446

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C19H14N4O3S/c1-26-19(25)11-6-7-12-15(8-11)22-16(23-17(12)24)9-27-18-13-4-2-3-5-14(13)20-10-21-18/h2-8,10H,9H2,1H3,(H,22,23,24)