methyl 3-(furan-2-ylmethyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(furan-2-ylmethyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-(2-furylmethyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-(2-furanylmethyl)-2-[[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]thio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(furan-2-ylmethyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 3-(2-furfuryl)-4-keto-2-[[2-keto-2-[4-(2-methoxyphenyl)piperazino]ethyl]thio]quinazoline-7-carboxylic acid methyl ester Formula: C28H28N4O6S MolecularWeight: 548.61012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NC4=C(C=CC(=C4)C(=O)OC)C(=O)N3CC5=CC=CO5

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NC4=C(C=CC(=C4)C(=O)OC)C(=O)N3CC5=CC=CO5

InChI

InChI=1S/C28H28N4O6S/c1-36-24-8-4-3-7-23(24)30-11-13-31(14-12-30)25(33)18-39-28-29-22-16-19(27(35)37-2)9-10-21(22)26(34)32(28)17-20-6-5-15-38-20/h3-10,15-16H,11-14,17-18H2,1-2H3