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

Systemtic Name: 6,7-dimethoxy-4-[4-(phenylmethyl)piperazin-1-yl]-9H-pyrimido[4,5-b]indole Openeye Name: 4-(4-benzylpiperazin-1-yl)-6,7-dimethoxy-9H-pyrimido[4,5-b]indole CAS Name: 6,7-dimethoxy-4-[4-(phenylmethyl)-1-piperazinyl]-9H-pyrimido[4,5-b]indole IUPAC Name: 4-(4-benzylpiperazin-1-yl)-6,7-dimethoxy-9H-pyrimido[4,5-b]indole Traditional Name: 4-(4-benzylpiperazino)-6,7-dimethoxy-9H-pyrimid[4,5-b]indole Formula: C23H25N5O2 MolecularWeight: 403.4769

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O2/c1-29-19-12-17-18(13-20(19)30-2)26-22-21(17)23(25-15-24-22)28-10-8-27(9-11-28)14-16-6-4-3-5-7-16/h3-7,12-13,15H,8-11,14H2,1-2H3,(H,24,25,26)