7-[3-[4-(6-chloranylpyrazin-2-yl)piperazin-1-yl]propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[3-[4-(6-chloranylpyrazin-2-yl)piperazin-1-yl]propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-[4-(6-chloro-2-pyrazinyl)-1-piperazinyl]propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-[4-(6-chloropyrazin-2-yl)piperazino]propyl]-1,3-dimethyl-xanthine Formula: C18H23ClN8O2 MolecularWeight: 418.88062

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN3CCN(CC3)C4=CN=CC(=N4)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN3CCN(CC3)C4=CN=CC(=N4)Cl

InChI

InChI=1S/C18H23ClN8O2/c1-23-16-15(17(28)24(2)18(23)29)27(12-21-16)5-3-4-25-6-8-26(9-7-25)14-11-20-10-13(19)22-14/h10-12H,3-9H2,1-2H3