3-butyl-7-methyl-8-pyridin-2-yl-purine-2,6-dione

Systemtic Name: 3-butyl-7-methyl-8-pyridin-2-yl-purine-2,6-dione Openeye Name: 3-butyl-7-methyl-8-(2-pyridyl)purine-2,6-dione CAS Name: 3-butyl-7-methyl-8-(2-pyridinyl)purine-2,6-dione IUPAC Name: 3-butyl-7-methyl-8-pyridin-2-ylpurine-2,6-dione Traditional Name: 3-butyl-7-methyl-8-(2-pyridyl)xanthine Formula: C15H17N5O2 MolecularWeight: 299.32778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=CC=N3)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=CC=N3)C

InChI

InChI=1S/C15H17N5O2/c1-3-4-9-20-13-11(14(21)18-15(20)22)19(2)12(17-13)10-7-5-6-8-16-10/h5-8H,3-4,9H2,1-2H3,(H,18,21,22)