2-[4-[2-(3,4-dimethoxyphenyl)ethylamino]quinazolin-2-yl]sulfanyl-1-phenyl-ethanone

Systemtic Name: 2-[4-[2-(3,4-dimethoxyphenyl)ethylamino]quinazolin-2-yl]sulfanyl-1-phenyl-ethanone Openeye Name: 2-[4-[2-(3,4-dimethoxyphenyl)ethylamino]quinazolin-2-yl]sulfanyl-1-phenyl-ethanone CAS Name: 2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-quinazolinyl]thio]-1-phenylethanone IUPAC Name: 2-[4-[2-(3,4-dimethoxyphenyl)ethylamino]quinazolin-2-yl]sulfanyl-1-phenylethanone Traditional Name: 2-[[4-(homoveratrylamino)quinazolin-2-yl]thio]-1-phenyl-ethanone Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC(=NC3=CC=CC=C32)SCC(=O)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC(=NC3=CC=CC=C32)SCC(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C26H25N3O3S/c1-31-23-13-12-18(16-24(23)32-2)14-15-27-25-20-10-6-7-11-21(20)28-26(29-25)33-17-22(30)19-8-4-3-5-9-19/h3-13,16H,14-15,17H2,1-2H3,(H,27,28,29)