1,3-dimethyl-7-[2-[[phenyl(pyridin-3-yl)methyl]amino]ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-[[phenyl(pyridin-3-yl)methyl]amino]ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-[[phenyl(3-pyridyl)methyl]amino]ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-[[phenyl(3-pyridinyl)methyl]amino]ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-[[phenyl(pyridin-3-yl)methyl]amino]ethyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[2-[[phenyl(3-pyridyl)methyl]amino]ethyl]xanthine Formula: C21H22N6O2 MolecularWeight: 390.43838

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNC(C3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNC(C3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C21H22N6O2/c1-25-19-18(20(28)26(2)21(25)29)27(14-24-19)12-11-23-17(15-7-4-3-5-8-15)16-9-6-10-22-13-16/h3-10,13-14,17,23H,11-12H2,1-2H3