1-(7-ethyl-1H-indol-3-yl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-(7-ethyl-1H-indol-3-yl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 1-(7-ethyl-1H-indol-3-yl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone CAS Name: 1-(7-ethyl-1H-indol-3-yl)-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethanone IUPAC Name: 1-(7-ethyl-1H-indol-3-yl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanone Traditional Name: 1-(7-ethyl-1H-indol-3-yl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]ethanone Formula: C18H17N5OS MolecularWeight: 351.42548

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)CSC3=NC=NC4=C3C=NN4C

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)CSC3=NC=NC4=C3C=NN4C

InChI

InChI=1S/C18H17N5OS/c1-3-11-5-4-6-12-13(7-19-16(11)12)15(24)9-25-18-14-8-22-23(2)17(14)20-10-21-18/h4-8,10,19H,3,9H2,1-2H3