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

Systemtic Name: 8-[(4-azanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)methylsulfanyl]-7-butyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[[4-amino-6-(1-piperidyl)-1,3,5-triazin-2-yl]methylsulfanyl]-7-butyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[4-amino-6-(1-piperidinyl)-1,3,5-triazin-2-yl]methylthio]-7-butyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)methylsulfanyl]-7-butyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[(4-amino-6-piperidino-s-triazin-2-yl)methylthio]-7-butyl-1,3-dimethyl-xanthine Formula: C20H29N9O2S MolecularWeight: 459.56836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1SCC3=NC(=NC(=N3)N)N4CCCCC4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCN1C2=C(N=C1SCC3=NC(=NC(=N3)N)N4CCCCC4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C20H29N9O2S/c1-4-5-11-29-14-15(26(2)20(31)27(3)16(14)30)24-19(29)32-12-13-22-17(21)25-18(23-13)28-9-7-6-8-10-28/h4-12H2,1-3H3,(H2,21,22,23,25)