3-methyl-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 3-methyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 7-isopropyl-3-methyl-purine-2,6-dione CAS Name: 3-methyl-7-propan-2-ylpurine-2,6-dione IUPAC Name: 3-methyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 7-isopropyl-3-methyl-xanthine Formula: C9H12N4O2 MolecularWeight: 208.21718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1C(=O)NC(=O)N2C

Isomeric SMILES

CC(C)N1C=NC2=C1C(=O)NC(=O)N2C

InChI

InChI=1S/C9H12N4O2/c1-5(2)13-4-10-7-6(13)8(14)11-9(15)12(7)3/h4-5H,1-3H3,(H,11,14,15)