N-(2,5-dimethoxyphenyl)-2-[6-morpholin-4-yl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-2-[6-morpholin-4-yl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-(3-benzyl-6-morpholino-4-oxo-quinazolin-2-yl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide CAS Name: N-(2,5-dimethoxyphenyl)-2-[[6-(4-morpholinyl)-4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]acetamide IUPAC Name: 2-(3-benzyl-6-morpholin-4-yl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide Traditional Name: 2-[(3-benzyl-4-keto-6-morpholino-quinazolin-2-yl)thio]-N-(2,5-dimethoxyphenyl)acetamide Formula: C29H30N4O5S MolecularWeight: 546.6373

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2CC5=CC=CC=C5

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2CC5=CC=CC=C5

InChI

InChI=1S/C29H30N4O5S/c1-36-22-9-11-26(37-2)25(17-22)30-27(34)19-39-29-31-24-10-8-21(32-12-14-38-15-13-32)16-23(24)28(35)33(29)18-20-6-4-3-5-7-20/h3-11,16-17H,12-15,18-19H2,1-2H3,(H,30,34)