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

Systemtic Name: 3,7-dimethyl-8-(3-methyl-5-phenyl-pyrazol-1-yl)purine-2,6-dione Openeye Name: 3,7-dimethyl-8-(3-methyl-5-phenyl-pyrazol-1-yl)purine-2,6-dione CAS Name: 3,7-dimethyl-8-(3-methyl-5-phenyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 3,7-dimethyl-8-(3-methyl-5-phenylpyrazol-1-yl)purine-2,6-dione Traditional Name: 3,7-dimethyl-8-(3-methyl-5-phenyl-pyrazol-1-yl)xanthine Formula: C17H16N6O2 MolecularWeight: 336.34794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N6O2/c1-10-9-12(11-7-5-4-6-8-11)23(20-10)16-18-14-13(21(16)2)15(24)19-17(25)22(14)3/h4-9H,1-3H3,(H,19,24,25)