8-(5-azanyl-3-phenyl-pyrazol-1-yl)-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-(5-azanyl-3-phenyl-pyrazol-1-yl)-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-(5-amino-3-phenyl-pyrazol-1-yl)-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-(5-amino-3-phenyl-1-pyrazolyl)-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-(5-amino-3-phenylpyrazol-1-yl)-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-(5-amino-3-phenyl-pyrazol-1-yl)-1,3,7-trimethyl-xanthine Formula: C17H17N7O2 MolecularWeight: 351.36258

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1N3C(=CC(=N3)C4=CC=CC=C4)N)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1N3C(=CC(=N3)C4=CC=CC=C4)N)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C17H17N7O2/c1-21-13-14(22(2)17(26)23(3)15(13)25)19-16(21)24-12(18)9-11(20-24)10-7-5-4-6-8-10/h4-9H,18H2,1-3H3