6,7-dimethoxy-4-[4-(phenylmethyl)piperazin-1-yl]-9H-pyrimido[4,5-b]indol-2-amine

Systemtic Name: 6,7-dimethoxy-4-[4-(phenylmethyl)piperazin-1-yl]-9H-pyrimido[4,5-b]indol-2-amine Openeye Name: 4-(4-benzylpiperazin-1-yl)-6,7-dimethoxy-9H-pyrimido[4,5-b]indol-2-amine CAS Name: 6,7-dimethoxy-4-[4-(phenylmethyl)-1-piperazinyl]-9H-pyrimido[4,5-b]indol-2-amine IUPAC Name: 4-(4-benzylpiperazin-1-yl)-6,7-dimethoxy-9H-pyrimido[4,5-b]indol-2-amine Traditional Name: [4-(4-benzylpiperazino)-6,7-dimethoxy-9H-pyrimid[4,5-b]indol-2-yl]amine Formula: C23H26N6O2 MolecularWeight: 418.49154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=C(N2)N=C(N=C3N4CCN(CC4)CC5=CC=CC=C5)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=C(N2)N=C(N=C3N4CCN(CC4)CC5=CC=CC=C5)N)OC

InChI

InChI=1S/C23H26N6O2/c1-30-18-12-16-17(13-19(18)31-2)25-21-20(16)22(27-23(24)26-21)29-10-8-28(9-11-29)14-15-6-4-3-5-7-15/h3-7,12-13H,8-11,14H2,1-2H3,(H3,24,25,26,27)