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

Systemtic Name: methyl 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazoline-7-carboxylate Openeye Name: methyl 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazoline-7-carboxylate CAS Name: 2-[[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]thio]-4-oxo-3-(2-oxolanylmethyl)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4-oxo-3-(oxolan-2-ylmethyl)quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[2-keto-2-[4-(2-methoxyphenyl)piperazino]ethyl]thio]-3-(tetrahydrofurfuryl)quinazoline-7-carboxylic acid methyl ester Formula: C28H32N4O6S MolecularWeight: 552.64188

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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)N3CC5CCCO5

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NC4=C(C=CC(=C4)C(=O)OC)C(=O)N3CC5CCCO5

InChI

InChI=1S/C28H32N4O6S/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/h3-4,7-10,16,20H,5-6,11-15,17-18H2,1-2H3