5-chloranyl-8-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline

Systemtic Name: 5-chloranyl-8-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline Openeye Name: 5-chloro-8-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline CAS Name: 5-chloro-8-[[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]quinoline IUPAC Name: 5-chloro-8-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline Traditional Name: 5-chloro-8-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]quinoline Formula: C16H12ClN5S MolecularWeight: 341.81798

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC3=C4C(=C(C=C3)Cl)C=CC=N4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC3=C4C(=C(C=C3)Cl)C=CC=N4

InChI

InChI=1S/C16H12ClN5S/c1-22-15-12(7-21-22)16(20-9-19-15)23-8-10-4-5-13(17)11-3-2-6-18-14(10)11/h2-7,9H,8H2,1H3