2-(4-chlorophenyl)-6-(4-methylpiperazin-1-yl)-8-pyridin-4-yl-7H-purine

Systemtic Name: 2-(4-chlorophenyl)-6-(4-methylpiperazin-1-yl)-8-pyridin-4-yl-7H-purine Openeye Name: 2-(4-chlorophenyl)-6-(4-methylpiperazin-1-yl)-8-(4-pyridyl)-7H-purine CAS Name: 2-(4-chlorophenyl)-6-(4-methyl-1-piperazinyl)-8-pyridin-4-yl-7H-purine IUPAC Name: 2-(4-chlorophenyl)-6-(4-methylpiperazin-1-yl)-8-pyridin-4-yl-7H-purine Traditional Name: 2-(4-chlorophenyl)-6-(4-methylpiperazino)-8-(4-pyridyl)-7H-purine Formula: C21H20ClN7 MolecularWeight: 405.8834

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=NC3=C2NC(=N3)C4=CC=NC=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

CN1CCN(CC1)C2=NC(=NC3=C2NC(=N3)C4=CC=NC=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C21H20ClN7/c1-28-10-12-29(13-11-28)21-17-20(25-18(24-17)15-6-8-23-9-7-15)26-19(27-21)14-2-4-16(22)5-3-14/h2-9H,10-13H2,1H3,(H,24,25,26,27)