1,3-diethyl-8-(6-piperazin-1-ylpyridin-3-yl)-5,7-dihydro-4H-purine-2,6-dione

Systemtic Name: 1,3-diethyl-8-(6-piperazin-1-ylpyridin-3-yl)-5,7-dihydro-4H-purine-2,6-dione Openeye Name: 1,3-diethyl-8-(6-piperazin-1-yl-3-pyridyl)-5,7-dihydro-4H-purine-2,6-dione CAS Name: 1,3-diethyl-8-[6-(1-piperazinyl)-3-pyridinyl]-5,7-dihydro-4H-purine-2,6-dione IUPAC Name: 1,3-diethyl-8-(6-piperazin-1-ylpyridin-3-yl)-5,7-dihydro-4H-purine-2,6-dione Traditional Name: 1,3-diethyl-8-(6-piperazino-3-pyridyl)-5,7-dihydro-4H-purine-2,6-quinone Formula: C18H25N7O2 MolecularWeight: 371.4368

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2C(C(=O)N(C1=O)CC)NC(=N2)C3=CN=C(C=C3)N4CCNCC4

Isomeric SMILES

CCN1C2C(C(=O)N(C1=O)CC)NC(=N2)C3=CN=C(C=C3)N4CCNCC4

InChI

InChI=1S/C18H25N7O2/c1-3-24-16-14(17(26)25(4-2)18(24)27)21-15(22-16)12-5-6-13(20-11-12)23-9-7-19-8-10-23/h5-6,11,14,16,19H,3-4,7-10H2,1-2H3,(H,21,22)