7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-8-(pyridin-2-ylmethylamino)purine-2,6-dione

Systemtic Name: 7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-8-(pyridin-2-ylmethylamino)purine-2,6-dione Openeye Name: 7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-8-(2-pyridylmethylamino)purine-2,6-dione CAS Name: 7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-8-(2-pyridinylmethylamino)purine-2,6-dione IUPAC Name: 7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-8-(pyridin-2-ylmethylamino)purine-2,6-dione Traditional Name: 7-m-anisyl-1,3-dimethyl-8-(2-pyridylmethylamino)xanthine Formula: C21H22N6O3 MolecularWeight: 406.43778

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CC=N3)CC4=CC(=CC=C4)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CC=N3)CC4=CC(=CC=C4)OC

InChI

InChI=1S/C21H22N6O3/c1-25-18-17(19(28)26(2)21(25)29)27(13-14-7-6-9-16(11-14)30-3)20(24-18)23-12-15-8-4-5-10-22-15/h4-11H,12-13H2,1-3H3,(H,23,24)