1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(pyridin-3-ylmethylamino)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(pyridin-3-ylmethylamino)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(1-naphthylmethyl)-8-(3-pyridylmethylamino)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(1-naphthalenylmethyl)-8-(3-pyridinylmethylamino)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(pyridin-3-ylmethylamino)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(1-naphthylmethyl)-8-(3-pyridylmethylamino)xanthine Formula: C24H22N6O2 MolecularWeight: 426.47048

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CN=CC=C3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CN=CC=C3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C24H22N6O2/c1-28-21-20(22(31)29(2)24(28)32)30(23(27-21)26-14-16-7-6-12-25-13-16)15-18-10-5-9-17-8-3-4-11-19(17)18/h3-13H,14-15H2,1-2H3,(H,26,27)