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

Systemtic Name: 6,7-bis(oxidanyl)-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]chromen-2-one Openeye Name: 6,7-dihydroxy-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]chromen-2-one CAS Name: 6,7-dihydroxy-4-[[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dihydroxy-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]chromen-2-one Traditional Name: 6,7-dihydroxy-4-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]coumarin Formula: C21H14N4O4S MolecularWeight: 418.42526

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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=CC(=C(C=C45)O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC4=CC(=O)OC5=CC(=C(C=C45)O)O

InChI

InChI=1S/C21H14N4O4S/c26-16-7-14-12(6-19(28)29-18(14)8-17(16)27)10-30-21-15-9-24-25(20(15)22-11-23-21)13-4-2-1-3-5-13/h1-9,11,26-27H,10H2