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

Systemtic Name: 7-[(2-chloranyl-5-methoxy-phenyl)methyl]-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Openeye Name: 7-[(2-chloro-5-methoxy-phenyl)methyl]-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione CAS Name: 7-[(2-chloro-5-methoxyphenyl)methyl]-1,3-dimethyl-8-(4-phenyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[(2-chloro-5-methoxyphenyl)methyl]-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Traditional Name: 7-(2-chloro-5-methoxy-benzyl)-1,3-dimethyl-8-(4-phenylpiperazino)xanthine Formula: C25H27ClN6O3 MolecularWeight: 494.97328

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC=CC=C4)CC5=C(C=CC(=C5)OC)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC=CC=C4)CC5=C(C=CC(=C5)OC)Cl

InChI

InChI=1S/C25H27ClN6O3/c1-28-22-21(23(33)29(2)25(28)34)32(16-17-15-19(35-3)9-10-20(17)26)24(27-22)31-13-11-30(12-14-31)18-7-5-4-6-8-18/h4-10,15H,11-14,16H2,1-3H3