1,9-dimethyl-8-propyl-3H-purine-2,6-dione

Systemtic Name: 1,9-dimethyl-8-propyl-3H-purine-2,6-dione Openeye Name: 1,9-dimethyl-8-propyl-3H-purine-2,6-dione CAS Name: 1,9-dimethyl-8-propyl-3H-purine-2,6-dione IUPAC Name: 1,9-dimethyl-8-propyl-3H-purine-2,6-dione Traditional Name: 1,9-dimethyl-8-propyl-xanthine Formula: C10H14N4O2 MolecularWeight: 222.24376

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1C)NC(=O)N(C2=O)C

Isomeric SMILES

CCCC1=NC2=C(N1C)NC(=O)N(C2=O)C

InChI

InChI=1S/C10H14N4O2/c1-4-5-6-11-7-8(13(6)2)12-10(16)14(3)9(7)15/h4-5H2,1-3H3,(H,12,16)