6,7-dimethyl-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]coumarin Formula: C18H16N4O2S MolecularWeight: 352.41024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC=NC4=C3C=NN4C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC=NC4=C3C=NN4C)C

InChI

InChI=1S/C18H16N4O2S/c1-10-4-13-12(6-16(23)24-15(13)5-11(10)2)8-25-18-14-7-21-22(3)17(14)19-9-20-18/h4-7,9H,8H2,1-3H3