2-(4-cyclohepta[d]imidazol-2-ylpiperazin-1-yl)-5,6,7-trimethoxy-quinazolin-4-amine

Systemtic Name: 2-(4-cyclohepta[d]imidazol-2-ylpiperazin-1-yl)-5,6,7-trimethoxy-quinazolin-4-amine Openeye Name: 2-(4-cyclohepta[d]imidazol-2-ylpiperazin-1-yl)-5,6,7-trimethoxy-quinazolin-4-amine CAS Name: 2-[4-(2-cyclohepta[d]imidazolyl)-1-piperazinyl]-5,6,7-trimethoxy-4-quinazolinamine IUPAC Name: 2-(4-cyclohepta[d]imidazol-2-ylpiperazin-1-yl)-5,6,7-trimethoxyquinazolin-4-amine Traditional Name: [2-(4-cyclohept[d]imidazol-2-ylpiperazino)-5,6,7-trimethoxy-quinazolin-4-yl]amine Formula: C23H25N7O3 MolecularWeight: 447.4897

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)N=C(N=C2N)N3CCN(CC3)C4=NC5=CC=CC=CC5=N4)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)N=C(N=C2N)N3CCN(CC3)C4=NC5=CC=CC=CC5=N4)OC)OC

InChI

InChI=1S/C23H25N7O3/c1-31-17-13-16-18(20(33-3)19(17)32-2)21(24)28-23(27-16)30-11-9-29(10-12-30)22-25-14-7-5-4-6-8-15(14)26-22/h4-8,13H,9-12H2,1-3H3,(H2,24,27,28)