2-ethoxy-4-piperazin-1-yl-7-pyridin-4-yl-5H-pyrimido[5,4-b]indole

Systemtic Name: 2-ethoxy-4-piperazin-1-yl-7-pyridin-4-yl-5H-pyrimido[5,4-b]indole Openeye Name: 2-ethoxy-4-piperazin-1-yl-7-(4-pyridyl)-5H-pyrimido[5,4-b]indole CAS Name: 2-ethoxy-4-(1-piperazinyl)-7-pyridin-4-yl-5H-pyrimido[5,4-b]indole IUPAC Name: 2-ethoxy-4-piperazin-1-yl-7-pyridin-4-yl-5H-pyrimido[5,4-b]indole Traditional Name: 2-ethoxy-4-piperazino-7-(4-pyridyl)-5H-pyrimid[5,4-b]indole Formula: C21H22N6O MolecularWeight: 374.43898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=C(C(=N1)N3CCNCC3)NC4=C2C=CC(=C4)C5=CC=NC=C5

Isomeric SMILES

CCOC1=NC2=C(C(=N1)N3CCNCC3)NC4=C2C=CC(=C4)C5=CC=NC=C5

InChI

InChI=1S/C21H22N6O/c1-2-28-21-25-18-16-4-3-15(14-5-7-22-8-6-14)13-17(16)24-19(18)20(26-21)27-11-9-23-10-12-27/h3-8,13,23-24H,2,9-12H2,1H3