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

Systemtic Name: 1,3-diethyl-8-[6-[(3-oxidanylidene-3-pyridin-3-yl-propyl)amino]pyridin-3-yl]-5,7-dihydro-4H-purine-2,6-dione Openeye Name: 1,3-diethyl-8-[6-[[3-oxo-3-(3-pyridyl)propyl]amino]-3-pyridyl]-5,7-dihydro-4H-purine-2,6-dione CAS Name: 1,3-diethyl-8-[6-[[3-oxo-3-(3-pyridinyl)propyl]amino]-3-pyridinyl]-5,7-dihydro-4H-purine-2,6-dione IUPAC Name: 1,3-diethyl-8-[6-[(3-oxo-3-pyridin-3-ylpropyl)amino]pyridin-3-yl]-5,7-dihydro-4H-purine-2,6-dione Traditional Name: 1,3-diethyl-8-[6-[[3-keto-3-(3-pyridyl)propyl]amino]-3-pyridyl]-5,7-dihydro-4H-purine-2,6-quinone Formula: C22H25N7O3 MolecularWeight: 435.479

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2C(C(=O)N(C1=O)CC)NC(=N2)C3=CN=C(C=C3)NCCC(=O)C4=CN=CC=C4

Isomeric SMILES

CCN1C2C(C(=O)N(C1=O)CC)NC(=N2)C3=CN=C(C=C3)NCCC(=O)C4=CN=CC=C4

InChI

InChI=1S/C22H25N7O3/c1-3-28-20-18(21(31)29(4-2)22(28)32)26-19(27-20)15-7-8-17(25-13-15)24-11-9-16(30)14-6-5-10-23-12-14/h5-8,10,12-13,18,20H,3-4,9,11H2,1-2H3,(H,24,25)(H,26,27)