1,3-dimethyl-7-propyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-propyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-propyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-propyl-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-propyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-propyl-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C16H22N6O2 MolecularWeight: 330.38488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1N3C(=C(C(=N3)C)C)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1N3C(=C(C(=N3)C)C)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H22N6O2/c1-7-8-21-12-13(19(5)16(24)20(6)14(12)23)17-15(21)22-11(4)9(2)10(3)18-22/h7-8H2,1-6H3