1,3-dimethyl-8-[(4-methyl-1,2,4-triazol-3-yl)methyl]-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[(4-methyl-1,2,4-triazol-3-yl)methyl]-7-propan-2-yl-purine-2,6-dione Openeye Name: 7-isopropyl-1,3-dimethyl-8-[(4-methyl-1,2,4-triazol-3-yl)methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(4-methyl-1,2,4-triazol-3-yl)methyl]-7-propan-2-ylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[(4-methyl-1,2,4-triazol-3-yl)methyl]-7-propan-2-ylpurine-2,6-dione Traditional Name: 7-isopropyl-1,3-dimethyl-8-[(4-methyl-1,2,4-triazol-3-yl)methyl]xanthine Formula: C14H19N7O2 MolecularWeight: 317.34636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC3=NN=CN3C

Isomeric SMILES

CC(C)N1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC3=NN=CN3C

InChI

InChI=1S/C14H19N7O2/c1-8(2)21-9(6-10-17-15-7-18(10)3)16-12-11(21)13(22)20(5)14(23)19(12)4/h7-8H,6H2,1-5H3