3-chloranyl-4-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline

Systemtic Name: 3-chloranyl-4-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline Openeye Name: 3-chloro-4-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline CAS Name: 3-chloro-4-methyl-2-[[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]quinoline IUPAC Name: 3-chloro-4-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline Traditional Name: 3-chloro-4-methyl-2-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]quinoline Formula: C22H16ClN5S MolecularWeight: 417.91394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5)Cl

InChI

InChI=1S/C22H16ClN5S/c1-14-16-9-5-6-10-18(16)27-19(20(14)23)12-29-22-17-11-26-28(21(17)24-13-25-22)15-7-3-2-4-8-15/h2-11,13H,12H2,1H3