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

Systemtic Name: 6,7-dimethyl-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]coumarin Formula: C23H18N4O2S MolecularWeight: 414.47962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5)C

InChI

InChI=1S/C23H18N4O2S/c1-14-8-18-16(10-21(28)29-20(18)9-15(14)2)12-30-23-19-11-26-27(22(19)24-13-25-23)17-6-4-3-5-7-17/h3-11,13H,12H2,1-2H3