2-chloranyl-7,8-dimethyl-3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline

Systemtic Name: 2-chloranyl-7,8-dimethyl-3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline Openeye Name: 2-chloro-7,8-dimethyl-3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline CAS Name: 2-chloro-7,8-dimethyl-3-[[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]quinoline IUPAC Name: 2-chloro-7,8-dimethyl-3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline Traditional Name: 2-chloro-7,8-dimethyl-3-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]quinoline Formula: C18H16ClN5S MolecularWeight: 369.87114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NC=NC4=C3C=NN4C)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NC=NC4=C3C=NN4C)Cl)C

InChI

InChI=1S/C18H16ClN5S/c1-10-4-5-12-6-13(16(19)23-15(12)11(10)2)8-25-18-14-7-22-24(3)17(14)20-9-21-18/h4-7,9H,8H2,1-3H3