2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-6,7,8-trimethoxy-quinazolin-4-amine

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-6,7,8-trimethoxy-quinazolin-4-amine Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-6,7,8-trimethoxy-quinazolin-4-amine CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-6,7,8-trimethoxy-4-quinazolinamine IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-6,7,8-trimethoxyquinazolin-4-amine Traditional Name: [2-[4-(1,3-benzothiazol-2-yl)piperazino]-6,7,8-trimethoxy-quinazolin-4-yl]amine Formula: C22H24N6O3S MolecularWeight: 452.52936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C4=NC5=CC=CC=C5S4)N)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C4=NC5=CC=CC=C5S4)N)OC)OC

InChI

InChI=1S/C22H24N6O3S/c1-29-15-12-13-17(19(31-3)18(15)30-2)25-21(26-20(13)23)27-8-10-28(11-9-27)22-24-14-6-4-5-7-16(14)32-22/h4-7,12H,8-11H2,1-3H3,(H2,23,25,26)