7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(4-pyrimidin-2-ylpiperazin-1-yl)purine-2,6-dione

Systemtic Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(4-pyrimidin-2-ylpiperazin-1-yl)purine-2,6-dione Openeye Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(4-pyrimidin-2-ylpiperazin-1-yl)purine-2,6-dione CAS Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[4-(2-pyrimidinyl)-1-piperazinyl]purine-2,6-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(4-pyrimidin-2-ylpiperazin-1-yl)purine-2,6-dione Traditional Name: 7-(4-chlorobenzyl)-1,3-dimethyl-8-[4-(2-pyrimidyl)piperazino]xanthine Formula: C22H23ClN8O2 MolecularWeight: 466.92342

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=NC=CC=N4)CC5=CC=C(C=C5)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=NC=CC=N4)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C22H23ClN8O2/c1-27-18-17(19(32)28(2)22(27)33)31(14-15-4-6-16(23)7-5-15)21(26-18)30-12-10-29(11-13-30)20-24-8-3-9-25-20/h3-9H,10-14H2,1-2H3