8-[(4-azanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)methylsulfanyl]-7-ethyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-[(4-azanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)methylsulfanyl]-7-ethyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[[4-amino-6-(1-piperidyl)-1,3,5-triazin-2-yl]methylsulfanyl]-7-ethyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[4-amino-6-(1-piperidinyl)-1,3,5-triazin-2-yl]methylthio]-7-ethyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)methylsulfanyl]-7-ethyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[(4-amino-6-piperidino-s-triazin-2-yl)methylthio]-7-ethyl-1,3-dimethyl-xanthine Formula: C18H25N9O2S MolecularWeight: 431.5152

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCC3=NC(=NC(=N3)N)N4CCCCC4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1SCC3=NC(=NC(=N3)N)N4CCCCC4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H25N9O2S/c1-4-27-12-13(24(2)18(29)25(3)14(12)28)22-17(27)30-10-11-20-15(19)23-16(21-11)26-8-6-5-7-9-26/h4-10H2,1-3H3,(H2,19,20,21,23)