N-(2,5-dimethoxyphenyl)-2-[4-[(phenylmethyl)amino]quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-2-[4-[(phenylmethyl)amino]quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[4-(benzylamino)quinazolin-2-yl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide CAS Name: N-(2,5-dimethoxyphenyl)-2-[[4-[(phenylmethyl)amino]-2-quinazolinyl]thio]acetamide IUPAC Name: 2-[4-(benzylamino)quinazolin-2-yl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide Traditional Name: 2-[[4-(benzylamino)quinazolin-2-yl]thio]-N-(2,5-dimethoxyphenyl)acetamide Formula: C25H24N4O3S MolecularWeight: 460.54806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NCC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NCC4=CC=CC=C4

InChI

InChI=1S/C25H24N4O3S/c1-31-18-12-13-22(32-2)21(14-18)27-23(30)16-33-25-28-20-11-7-6-10-19(20)24(29-25)26-15-17-8-4-3-5-9-17/h3-14H,15-16H2,1-2H3,(H,27,30)(H,26,28,29)