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

Systemtic Name: 8-[(4-azanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)methylsulfanyl]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[[4-amino-6-(1-piperidyl)-1,3,5-triazin-2-yl]methylsulfanyl]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[[4-amino-6-(1-piperidinyl)-1,3,5-triazin-2-yl]methylthio]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[(4-amino-6-piperidino-s-triazin-2-yl)methylthio]-1,3,7-trimethyl-xanthine Formula: C17H23N9O2S MolecularWeight: 417.48862

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCC3=NC(=NC(=N3)N)N4CCCCC4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SCC3=NC(=NC(=N3)N)N4CCCCC4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C17H23N9O2S/c1-23-11-12(24(2)17(28)25(3)13(11)27)21-16(23)29-9-10-19-14(18)22-15(20-10)26-7-5-4-6-8-26/h4-9H2,1-3H3,(H2,18,19,20,22)