7-butyl-1-methyl-3H-purine-2,6-dione

Systemtic Name: 7-butyl-1-methyl-3H-purine-2,6-dione Openeye Name: 7-butyl-1-methyl-3H-purine-2,6-dione CAS Name: 7-butyl-1-methyl-3H-purine-2,6-dione IUPAC Name: 7-butyl-1-methyl-3H-purine-2,6-dione Traditional Name: 7-butyl-1-methyl-xanthine Formula: C10H14N4O2 MolecularWeight: 222.24376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2)C

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2)C

InChI

InChI=1S/C10H14N4O2/c1-3-4-5-14-6-11-8-7(14)9(15)13(2)10(16)12-8/h6H,3-5H2,1-2H3,(H,12,16)