4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethylamino]-6,7-dimethoxy-1H-quinazoline-2-thione

Systemtic Name: 4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethylamino]-6,7-dimethoxy-1H-quinazoline-2-thione Openeye Name: 4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethylamino]-6,7-dimethoxy-1H-quinazoline-2-thione CAS Name: 4-[2-[4-(2-fluorophenyl)-1-piperazinyl]ethylamino]-6,7-dimethoxy-1H-quinazoline-2-thione IUPAC Name: 4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethylamino]-6,7-dimethoxy-1H-quinazoline-2-thione Traditional Name: 4-[2-[4-(2-fluorophenyl)piperazino]ethylamino]-6,7-dimethoxy-1H-quinazoline-2-thione Formula: C22H26FN5O2S MolecularWeight: 443.537543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=S)N2)NCCN3CCN(CC3)C4=CC=CC=C4F)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=S)N2)NCCN3CCN(CC3)C4=CC=CC=C4F)OC

InChI

InChI=1S/C22H26FN5O2S/c1-29-19-13-15-17(14-20(19)30-2)25-22(31)26-21(15)24-7-8-27-9-11-28(12-10-27)18-6-4-3-5-16(18)23/h3-6,13-14H,7-12H2,1-2H3,(H2,24,25,26,31)