methyl 2-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-(2-morpholin-4-ylethyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-(2-morpholin-4-ylethyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(4-ethylanilino)-2-oxo-ethyl]sulfanyl-3-(2-morpholinoethyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[[2-(4-ethylanilino)-2-oxoethyl]thio]-3-[2-(4-morpholinyl)ethyl]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-3-(2-morpholin-4-ylethyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[[2-(4-ethylanilino)-2-keto-ethyl]thio]-4-keto-3-(2-morpholinoethyl)quinazoline-7-carboxylic acid methyl ester Formula: C26H30N4O5S MolecularWeight: 510.6052

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CCN4CCOCC4

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CCN4CCOCC4

InChI

InChI=1S/C26H30N4O5S/c1-3-18-4-7-20(8-5-18)27-23(31)17-36-26-28-22-16-19(25(33)34-2)6-9-21(22)24(32)30(26)11-10-29-12-14-35-15-13-29/h4-9,16H,3,10-15,17H2,1-2H3,(H,27,31)