1,3,7-trimethyl-8-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[(5-methyl-2-phenyl-3-pyrazolyl)amino]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-[(5-methyl-2-phenylpyrazol-3-yl)amino]purine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]xanthine Formula: C18H19N7O2 MolecularWeight: 365.38916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1)NC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C)C4=CC=CC=C4

InChI

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