2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-8-pyrimidin-5-yl-quinoline

Systemtic Name: 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-8-pyrimidin-5-yl-quinoline Openeye Name: 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-8-pyrimidin-5-yl-quinoline CAS Name: 2-[4-(4-methoxy-2-pyrimidinyl)-1-piperazinyl]-8-(5-pyrimidinyl)quinoline IUPAC Name: 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-8-pyrimidin-5-ylquinoline Traditional Name: 2-[4-(4-methoxypyrimidin-2-yl)piperazino]-8-(5-pyrimidyl)quinoline Formula: C22H21N7O MolecularWeight: 399.44844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1)N2CCN(CC2)C3=NC4=C(C=CC=C4C5=CN=CN=C5)C=C3

Isomeric SMILES

COC1=NC(=NC=C1)N2CCN(CC2)C3=NC4=C(C=CC=C4C5=CN=CN=C5)C=C3

InChI

InChI=1S/C22H21N7O/c1-30-20-7-8-25-22(27-20)29-11-9-28(10-12-29)19-6-5-16-3-2-4-18(21(16)26-19)17-13-23-15-24-14-17/h2-8,13-15H,9-12H2,1H3