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

Systemtic Name: 1,3-dimethyl-8-(4-phenylpiperazin-1-yl)-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(4-phenylpiperazin-1-yl)-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-(4-phenyl-1-piperazinyl)-7-[2-(2-pyrimidinylthio)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(4-phenylpiperazin-1-yl)-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-8-(4-phenylpiperazino)-7-[2-(2-pyrimidylthio)ethyl]xanthine Formula: C23H26N8O2S MolecularWeight: 478.56994

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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)CCSC5=NC=CC=N5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC=CC=C4)CCSC5=NC=CC=N5

InChI

InChI=1S/C23H26N8O2S/c1-27-19-18(20(32)28(2)23(27)33)31(15-16-34-21-24-9-6-10-25-21)22(26-19)30-13-11-29(12-14-30)17-7-4-3-5-8-17/h3-10H,11-16H2,1-2H3