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

Systemtic Name: 7-methyl-1-propyl-3H-purine-2,6-dione Openeye Name: 7-methyl-1-propyl-3H-purine-2,6-dione CAS Name: 7-methyl-1-propyl-3H-purine-2,6-dione IUPAC Name: 7-methyl-1-propyl-3H-purine-2,6-dione Traditional Name: 7-methyl-1-propyl-xanthine Formula: C9H12N4O2 MolecularWeight: 208.21718

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(NC1=O)N=CN2C

Isomeric SMILES

CCCN1C(=O)C2=C(NC1=O)N=CN2C

InChI

InChI=1S/C9H12N4O2/c1-3-4-13-8(14)6-7(11-9(13)15)10-5-12(6)2/h5H,3-4H2,1-2H3,(H,11,15)