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

Systemtic Name: 6-ethyl-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]coumarin Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC=NC4=C3C=NN4C)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC=NC4=C3C=NN4C)O

InChI

InChI=1S/C18H16N4O3S/c1-3-10-4-12-11(5-16(24)25-15(12)6-14(10)23)8-26-18-13-7-21-22(2)17(13)19-9-20-18/h4-7,9,23H,3,8H2,1-2H3