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

Systemtic Name: 1,3-diethyl-8-[6-(pyridin-3-ylmethylamino)pyridin-3-yl]-5,7-dihydro-4H-purine-2,6-dione Openeye Name: 1,3-diethyl-8-[6-(3-pyridylmethylamino)-3-pyridyl]-5,7-dihydro-4H-purine-2,6-dione CAS Name: 1,3-diethyl-8-[6-(3-pyridinylmethylamino)-3-pyridinyl]-5,7-dihydro-4H-purine-2,6-dione IUPAC Name: 1,3-diethyl-8-[6-(pyridin-3-ylmethylamino)pyridin-3-yl]-5,7-dihydro-4H-purine-2,6-dione Traditional Name: 1,3-diethyl-8-[6-(3-pyridylmethylamino)-3-pyridyl]-5,7-dihydro-4H-purine-2,6-quinone Formula: C20H23N7O2 MolecularWeight: 393.44232

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2C(C(=O)N(C1=O)CC)NC(=N2)C3=CN=C(C=C3)NCC4=CN=CC=C4

Isomeric SMILES

CCN1C2C(C(=O)N(C1=O)CC)NC(=N2)C3=CN=C(C=C3)NCC4=CN=CC=C4

InChI

InChI=1S/C20H23N7O2/c1-3-26-18-16(19(28)27(4-2)20(26)29)24-17(25-18)14-7-8-15(23-12-14)22-11-13-6-5-9-21-10-13/h5-10,12,16,18H,3-4,11H2,1-2H3,(H,22,23)(H,24,25)