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

Systemtic Name: 1,3-dipropyl-8-[6-(pyridin-2-ylmethylamino)pyridin-3-yl]-5,7-dihydro-4H-purine-2,6-dione Openeye Name: 1,3-dipropyl-8-[6-(2-pyridylmethylamino)-3-pyridyl]-5,7-dihydro-4H-purine-2,6-dione CAS Name: 1,3-dipropyl-8-[6-(2-pyridinylmethylamino)-3-pyridinyl]-5,7-dihydro-4H-purine-2,6-dione IUPAC Name: 1,3-dipropyl-8-[6-(pyridin-2-ylmethylamino)pyridin-3-yl]-5,7-dihydro-4H-purine-2,6-dione Traditional Name: 1,3-dipropyl-8-[6-(2-pyridylmethylamino)-3-pyridyl]-5,7-dihydro-4H-purine-2,6-quinone Formula: C22H27N7O2 MolecularWeight: 421.49548

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN=C(C=C3)NCC4=CC=CC=N4

Isomeric SMILES

CCCN1C2C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN=C(C=C3)NCC4=CC=CC=N4

InChI

InChI=1S/C22H27N7O2/c1-3-11-28-20-18(21(30)29(12-4-2)22(28)31)26-19(27-20)15-8-9-17(24-13-15)25-14-16-7-5-6-10-23-16/h5-10,13,18,20H,3-4,11-12,14H2,1-2H3,(H,24,25)(H,26,27)