8-chloranyl-7-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-chloranyl-7-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-1,3-dimethyl-xanthine Formula: C18H16Cl2N6O2 MolecularWeight: 419.26464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C)Cl)C4=CC=CC=C4

InChI

InChI=1S/C18H16Cl2N6O2/c1-10-12(14(19)26(22-10)11-7-5-4-6-8-11)9-25-13-15(21-17(25)20)23(2)18(28)24(3)16(13)27/h4-8H,9H2,1-3H3