3,7-dimethyl-1-propan-2-yl-purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-propan-2-yl-purine-2,6-dione Openeye Name: 1-isopropyl-3,7-dimethyl-purine-2,6-dione CAS Name: 3,7-dimethyl-1-propan-2-ylpurine-2,6-dione IUPAC Name: 3,7-dimethyl-1-propan-2-ylpurine-2,6-dione Traditional Name: 1-isopropyl-3,7-dimethyl-xanthine Formula: C10H14N4O2 MolecularWeight: 222.24376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=C(N=CN2C)N(C1=O)C

Isomeric SMILES

CC(C)N1C(=O)C2=C(N=CN2C)N(C1=O)C

InChI

InChI=1S/C10H14N4O2/c1-6(2)14-9(15)7-8(11-5-12(7)3)13(4)10(14)16/h5-6H,1-4H3