8-(4-ethylpiperazin-1-yl)-3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanyl-propyl)purine-2,6-dione

Systemtic Name: 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanyl-propyl)purine-2,6-dione Openeye Name: 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanyl-propyl)purine-2,6-dione CAS Name: 8-(4-ethyl-1-piperazinyl)-3-methyl-7-[2-methyl-3-(2-pyrimidinylthio)propyl]purine-2,6-dione IUPAC Name: 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione Traditional Name: 8-(4-ethylpiperazino)-3-methyl-7-[2-methyl-3-(2-pyrimidylthio)propyl]xanthine Formula: C20H28N8O2S MolecularWeight: 444.55372

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=C(N2CC(C)CSC4=NC=CC=N4)C(=O)NC(=O)N3C

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=C(N2CC(C)CSC4=NC=CC=N4)C(=O)NC(=O)N3C

InChI

InChI=1S/C20H28N8O2S/c1-4-26-8-10-27(11-9-26)19-23-16-15(17(29)24-20(30)25(16)3)28(19)12-14(2)13-31-18-21-6-5-7-22-18/h5-7,14H,4,8-13H2,1-3H3,(H,24,29,30)