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

Systemtic Name: 8-[(3-methoxyphenyl)methylamino]-1,3-dimethyl-7-(pyridin-3-ylmethyl)purine-2,6-dione Openeye Name: 8-[(3-methoxyphenyl)methylamino]-1,3-dimethyl-7-(3-pyridylmethyl)purine-2,6-dione CAS Name: 8-[(3-methoxyphenyl)methylamino]-1,3-dimethyl-7-(3-pyridinylmethyl)purine-2,6-dione IUPAC Name: 8-[(3-methoxyphenyl)methylamino]-1,3-dimethyl-7-(pyridin-3-ylmethyl)purine-2,6-dione Traditional Name: 8-(m-anisylamino)-1,3-dimethyl-7-(3-pyridylmethyl)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=C3)OC)CC4=CN=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC(=CC=C3)OC)CC4=CN=CC=C4

InChI

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