8-[5-azanyl-3-(4-methylphenyl)pyrazol-1-yl]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[5-azanyl-3-(4-methylphenyl)pyrazol-1-yl]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[5-amino-3-(p-tolyl)pyrazol-1-yl]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[5-amino-3-(4-methylphenyl)-1-pyrazolyl]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[5-amino-3-(4-methylphenyl)pyrazol-1-yl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[5-amino-3-(p-tolyl)pyrazol-1-yl]-1,3,7-trimethyl-xanthine Formula: C18H19N7O2 MolecularWeight: 365.38916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=C2)N)C3=NC4=C(N3C)C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=C2)N)C3=NC4=C(N3C)C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C18H19N7O2/c1-10-5-7-11(8-6-10)12-9-13(19)25(21-12)17-20-15-14(22(17)2)16(26)24(4)18(27)23(15)3/h5-9H,19H2,1-4H3