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

Systemtic Name: 7-bromanyl-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7-bromo-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]chromen-2-one CAS Name: 7-bromo-4-[[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-bromo-4-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]coumarin Formula: C21H13BrN4O2S MolecularWeight: 465.32252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC4=CC(=O)OC5=C4C=CC(=C5)Br

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC4=CC(=O)OC5=C4C=CC(=C5)Br

InChI

InChI=1S/C21H13BrN4O2S/c22-14-6-7-16-13(8-19(27)28-18(16)9-14)11-29-21-17-10-25-26(20(17)23-12-24-21)15-4-2-1-3-5-15/h1-10,12H,11H2