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

Systemtic Name: 1,3-dipropyl-8-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-3-yl]-5,7-dihydro-4H-purine-2,6-dione Openeye Name: 1,3-dipropyl-8-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridyl]-5,7-dihydro-4H-purine-2,6-dione CAS Name: 1,3-dipropyl-8-[6-[4-(2-pyrimidinyl)-1-piperazinyl]-3-pyridinyl]-5,7-dihydro-4H-purine-2,6-dione IUPAC Name: 1,3-dipropyl-8-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-3-yl]-5,7-dihydro-4H-purine-2,6-dione Traditional Name: 1,3-dipropyl-8-[6-[4-(2-pyrimidyl)piperazino]-3-pyridyl]-5,7-dihydro-4H-purine-2,6-quinone Formula: C24H31N9O2 MolecularWeight: 477.56204

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN=C(C=C3)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CCCN1C2C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN=C(C=C3)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C24H31N9O2/c1-3-10-32-21-19(22(34)33(11-4-2)24(32)35)28-20(29-21)17-6-7-18(27-16-17)30-12-14-31(15-13-30)23-25-8-5-9-26-23/h5-9,16,19,21H,3-4,10-15H2,1-2H3,(H,28,29)