8-[[2-(4-chlorophenyl)-5-methyl-pyrazol-3-yl]amino]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[[2-(4-chlorophenyl)-5-methyl-pyrazol-3-yl]amino]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[[2-(4-chlorophenyl)-5-methyl-pyrazol-3-yl]amino]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[[2-(4-chlorophenyl)-5-methyl-3-pyrazolyl]amino]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]amino]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[[2-(4-chlorophenyl)-5-methyl-pyrazol-3-yl]amino]-1,3,7-trimethyl-xanthine Formula: C18H18ClN7O2 MolecularWeight: 399.83422

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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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN7O2/c1-10-9-13(26(22-10)12-7-5-11(19)6-8-12)20-17-21-15-14(23(17)2)16(27)25(4)18(28)24(15)3/h5-9H,1-4H3,(H,20,21)