methyl 2-[2-[bis(phenylmethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-(2-hydroxyethyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[2-[bis(phenylmethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-(2-hydroxyethyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(dibenzylamino)-2-oxo-ethyl]sulfanyl-3-(2-hydroxyethyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[[2-[bis(phenylmethyl)amino]-2-oxoethyl]thio]-3-(2-hydroxyethyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(dibenzylamino)-2-oxoethyl]sulfanyl-3-(2-hydroxyethyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[[2-(dibenzylamino)-2-keto-ethyl]thio]-3-(2-hydroxyethyl)-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C28H27N3O5S MolecularWeight: 517.59608

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4)CCO

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4)CCO

InChI

InChI=1S/C28H27N3O5S/c1-36-27(35)22-12-13-23-24(16-22)29-28(31(14-15-32)26(23)34)37-19-25(33)30(17-20-8-4-2-5-9-20)18-21-10-6-3-7-11-21/h2-13,16,32H,14-15,17-19H2,1H3