1,3-dimethyl-7-(phenylmethyl)-8-(4-pyrimidin-2-ylpiperazin-1-yl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(phenylmethyl)-8-(4-pyrimidin-2-ylpiperazin-1-yl)purine-2,6-dione Openeye Name: 7-benzyl-1,3-dimethyl-8-(4-pyrimidin-2-ylpiperazin-1-yl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(phenylmethyl)-8-[4-(2-pyrimidinyl)-1-piperazinyl]purine-2,6-dione IUPAC Name: 7-benzyl-1,3-dimethyl-8-(4-pyrimidin-2-ylpiperazin-1-yl)purine-2,6-dione Traditional Name: 7-benzyl-1,3-dimethyl-8-[4-(2-pyrimidyl)piperazino]xanthine Formula: C22H24N8O2 MolecularWeight: 432.47836

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C22H24N8O2/c1-26-18-17(19(31)27(2)22(26)32)30(15-16-7-4-3-5-8-16)21(25-18)29-13-11-28(12-14-29)20-23-9-6-10-24-20/h3-10H,11-15H2,1-2H3