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

Systemtic Name: 1,3-dipropyl-8-[6-(pyridin-3-ylmethylamino)pyridin-3-yl]-5,7-dihydro-4H-purine-2,6-dione Openeye Name: 1,3-dipropyl-8-[6-(3-pyridylmethylamino)-3-pyridyl]-5,7-dihydro-4H-purine-2,6-dione CAS Name: 1,3-dipropyl-8-[6-(3-pyridinylmethylamino)-3-pyridinyl]-5,7-dihydro-4H-purine-2,6-dione IUPAC Name: 1,3-dipropyl-8-[6-(pyridin-3-ylmethylamino)pyridin-3-yl]-5,7-dihydro-4H-purine-2,6-dione Traditional Name: 1,3-dipropyl-8-[6-(3-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=CN=CC=C4

Isomeric SMILES

CCCN1C2C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN=C(C=C3)NCC4=CN=CC=C4

InChI

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