9-cycloheptyl-N-(5-piperazin-1-ylpyridin-2-yl)pyrimido[4,5-b]indol-2-amine

Systemtic Name: 9-cycloheptyl-N-(5-piperazin-1-ylpyridin-2-yl)pyrimido[4,5-b]indol-2-amine Openeye Name: 9-cycloheptyl-N-(5-piperazin-1-yl-2-pyridyl)pyrimido[4,5-b]indol-2-amine CAS Name: 9-cycloheptyl-N-[5-(1-piperazinyl)-2-pyridinyl]-2-pyrimido[4,5-b]indolamine IUPAC Name: 9-cycloheptyl-N-(5-piperazin-1-ylpyridin-2-yl)pyrimido[4,5-b]indol-2-amine Traditional Name: (9-cycloheptylpyrimid[4,5-b]indol-2-yl)-(5-piperazino-2-pyridyl)amine Formula: C26H31N7 MolecularWeight: 441.57124

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N2C3=CC=CC=C3C4=CN=C(N=C42)NC5=NC=C(C=C5)N6CCNCC6

Isomeric SMILES

C1CCCC(CC1)N2C3=CC=CC=C3C4=CN=C(N=C42)NC5=NC=C(C=C5)N6CCNCC6

InChI

InChI=1S/C26H31N7/c1-2-4-8-19(7-3-1)33-23-10-6-5-9-21(23)22-18-29-26(31-25(22)33)30-24-12-11-20(17-28-24)32-15-13-27-14-16-32/h5-6,9-12,17-19,27H,1-4,7-8,13-16H2,(H,28,29,30,31)