4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole Traditional Name: 7,8-dimethoxy-4-(4-piperonylpiperazino)-5H-pyrimid[5,4-b]indole Formula: C24H25N5O4 MolecularWeight: 447.4864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=C(N2)C(=NC=N3)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=C(N2)C(=NC=N3)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)OC

InChI

InChI=1S/C24H25N5O4/c1-30-19-10-16-17(11-20(19)31-2)27-23-22(16)25-13-26-24(23)29-7-5-28(6-8-29)12-15-3-4-18-21(9-15)33-14-32-18/h3-4,9-11,13,27H,5-8,12,14H2,1-2H3