2-[[4-(4-fluorophenyl)sulfanylpiperidin-1-yl]methyl]-6,7-dimethoxy-quinazolin-4-amine

Systemtic Name: 2-[[4-(4-fluorophenyl)sulfanylpiperidin-1-yl]methyl]-6,7-dimethoxy-quinazolin-4-amine Openeye Name: 2-[[4-(4-fluorophenyl)sulfanyl-1-piperidyl]methyl]-6,7-dimethoxy-quinazolin-4-amine CAS Name: 2-[[4-[(4-fluorophenyl)thio]-1-piperidinyl]methyl]-6,7-dimethoxy-4-quinazolinamine IUPAC Name: 2-[[4-(4-fluorophenyl)sulfanylpiperidin-1-yl]methyl]-6,7-dimethoxyquinazolin-4-amine Traditional Name: [2-[[4-[(4-fluorophenyl)thio]piperidino]methyl]-6,7-dimethoxy-quinazolin-4-yl]amine Formula: C22H25FN4O2S MolecularWeight: 428.522903

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)CN3CCC(CC3)SC4=CC=C(C=C4)F)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)CN3CCC(CC3)SC4=CC=C(C=C4)F)N)OC

InChI

InChI=1S/C22H25FN4O2S/c1-28-19-11-17-18(12-20(19)29-2)25-21(26-22(17)24)13-27-9-7-16(8-10-27)30-15-5-3-14(23)4-6-15/h3-6,11-12,16H,7-10,13H2,1-2H3,(H2,24,25,26)