3,7-dimethyl-1-[3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropyl]purine-2,6-dione Traditional Name: 3,7-dimethyl-1-[3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propyl]xanthine Formula: C16H18N8O2S MolecularWeight: 386.43152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NC=NC4=C3C=NN4C

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NC=NC4=C3C=NN4C

InChI

InChI=1S/C16H18N8O2S/c1-21-9-19-13-11(21)15(25)24(16(26)22(13)2)5-4-6-27-14-10-7-20-23(3)12(10)17-8-18-14/h7-9H,4-6H2,1-3H3