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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-6,7-dimethoxy-quinazolin-4-amine Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-6,7-dimethoxy-quinazolin-4-amine CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-6,7-dimethoxy-4-quinazolinamine IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine Traditional Name: [2-[4-(1,3-benzothiazol-2-yl)piperazino]-6,7-dimethoxy-quinazolin-4-yl]amine Formula: C21H22N6O2S MolecularWeight: 422.50338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6O2S/c1-28-16-11-13-15(12-17(16)29-2)23-20(25-19(13)22)26-7-9-27(10-8-26)21-24-14-5-3-4-6-18(14)30-21/h3-6,11-12H,7-10H2,1-2H3,(H2,22,23,25)