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

Systemtic Name: 1,3-dimethyl-7-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-[methyl(3-pyridylmethyl)amino]ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-[methyl(3-pyridinylmethyl)amino]ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[2-[methyl(3-pyridylmethyl)amino]ethyl]xanthine Formula: C16H20N6O2 MolecularWeight: 328.369

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN(C)CC3=CN=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN(C)CC3=CN=CC=C3

InChI

InChI=1S/C16H20N6O2/c1-19(10-12-5-4-6-17-9-12)7-8-22-11-18-14-13(22)15(23)21(3)16(24)20(14)2/h4-6,9,11H,7-8,10H2,1-3H3