1,3-diethyl-8-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-3-yl]-5,7-dihydro-4H-purine-2,6-dione

Systemtic Name: 1,3-diethyl-8-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-3-yl]-5,7-dihydro-4H-purine-2,6-dione Openeye Name: 1,3-diethyl-8-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridyl]-5,7-dihydro-4H-purine-2,6-dione CAS Name: 1,3-diethyl-8-[6-[4-(2-pyrimidinyl)-1-piperazinyl]-3-pyridinyl]-5,7-dihydro-4H-purine-2,6-dione IUPAC Name: 1,3-diethyl-8-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-3-yl]-5,7-dihydro-4H-purine-2,6-dione Traditional Name: 1,3-diethyl-8-[6-[4-(2-pyrimidyl)piperazino]-3-pyridyl]-5,7-dihydro-4H-purine-2,6-quinone Formula: C22H27N9O2 MolecularWeight: 449.50888

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2C(C(=O)N(C1=O)CC)NC(=N2)C3=CN=C(C=C3)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CCN1C2C(C(=O)N(C1=O)CC)NC(=N2)C3=CN=C(C=C3)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C22H27N9O2/c1-3-30-19-17(20(32)31(4-2)22(30)33)26-18(27-19)15-6-7-16(25-14-15)28-10-12-29(13-11-28)21-23-8-5-9-24-21/h5-9,14,17,19H,3-4,10-13H2,1-2H3,(H,26,27)