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

Systemtic Name: 1,3-diethyl-8-[6-(2-pyridin-2-ylethylamino)pyridin-3-yl]-5,7-dihydro-4H-purine-2,6-dione Openeye Name: 1,3-diethyl-8-[6-[2-(2-pyridyl)ethylamino]-3-pyridyl]-5,7-dihydro-4H-purine-2,6-dione CAS Name: 1,3-diethyl-8-[6-[2-(2-pyridinyl)ethylamino]-3-pyridinyl]-5,7-dihydro-4H-purine-2,6-dione IUPAC Name: 1,3-diethyl-8-[6-(2-pyridin-2-ylethylamino)pyridin-3-yl]-5,7-dihydro-4H-purine-2,6-dione Traditional Name: 1,3-diethyl-8-[6-[2-(2-pyridyl)ethylamino]-3-pyridyl]-5,7-dihydro-4H-purine-2,6-quinone Formula: C21H25N7O2 MolecularWeight: 407.4689

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2C(C(=O)N(C1=O)CC)NC(=N2)C3=CN=C(C=C3)NCCC4=CC=CC=N4

Isomeric SMILES

CCN1C2C(C(=O)N(C1=O)CC)NC(=N2)C3=CN=C(C=C3)NCCC4=CC=CC=N4

InChI

InChI=1S/C21H25N7O2/c1-3-27-19-17(20(29)28(4-2)21(27)30)25-18(26-19)14-8-9-16(24-13-14)23-12-10-15-7-5-6-11-22-15/h5-9,11,13,17,19H,3-4,10,12H2,1-2H3,(H,23,24)(H,25,26)