4-[4-(1,3-dithiolan-2-yl)-2-methoxy-phenoxy]-1-methyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[4-(1,3-dithiolan-2-yl)-2-methoxy-phenoxy]-1-methyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-(1,3-dithiolan-2-yl)-2-methoxy-phenoxy]-1-methyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-1-methylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-1-methylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[4-(1,3-dithiolan-2-yl)-2-methoxy-phenoxy]-1-methyl-pyrazolo[3,4-d]pyrimidine Formula: C16H16N4O2S2 MolecularWeight: 360.45384

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)OC3=C(C=C(C=C3)C4SCCS4)OC

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)OC3=C(C=C(C=C3)C4SCCS4)OC

InChI

InChI=1S/C16H16N4O2S2/c1-20-14-11(8-19-20)15(18-9-17-14)22-12-4-3-10(7-13(12)21-2)16-23-5-6-24-16/h3-4,7-9,16H,5-6H2,1-2H3