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

Systemtic Name: 8-[(4-azanyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methylsulfanyl]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[(4-amino-6-morpholino-1,3,5-triazin-2-yl)methylsulfanyl]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[[4-amino-6-(4-morpholinyl)-1,3,5-triazin-2-yl]methylthio]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[(4-amino-6-morpholino-s-triazin-2-yl)methylthio]-1,3,7-trimethyl-xanthine Formula: C16H21N9O3S MolecularWeight: 419.46144

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCC3=NC(=NC(=N3)N)N4CCOCC4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SCC3=NC(=NC(=N3)N)N4CCOCC4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H21N9O3S/c1-22-10-11(23(2)16(27)24(3)12(10)26)20-15(22)29-8-9-18-13(17)21-14(19-9)25-4-6-28-7-5-25/h4-8H2,1-3H3,(H2,17,18,19,21)