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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-1-propyl-purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-1-propyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-3,7-dimethyl-1-propylpurine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-1-propylpurine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-1-propyl-xanthine Formula: C15H20N6O2 MolecularWeight: 316.3583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2C)N3C(=CC(=N3)C)C)N(C1=O)C

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2C)N3C(=CC(=N3)C)C)N(C1=O)C

InChI

InChI=1S/C15H20N6O2/c1-6-7-20-13(22)11-12(19(5)15(20)23)16-14(18(11)4)21-10(3)8-9(2)17-21/h8H,6-7H2,1-5H3