4-oxidanylidene-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]chromene-2-carboxamide

Systemtic Name: 4-oxidanylidene-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]chromene-2-carboxamide Openeye Name: 4-oxo-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]chromene-2-carboxamide CAS Name: 4-oxo-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-1-benzopyran-2-carboxamide IUPAC Name: 4-oxo-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]chromene-2-carboxamide Traditional Name: 4-keto-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]chromene-2-carboxamide Formula: C22H15N5O3S MolecularWeight: 429.4512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)NC3=CC=CC(=C3)CSC4=NC=NC5=C4C=NN5

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)NC3=CC=CC(=C3)CSC4=NC=NC5=C4C=NN5

InChI

InChI=1S/C22H15N5O3S/c28-17-9-19(30-18-7-2-1-6-15(17)18)21(29)26-14-5-3-4-13(8-14)11-31-22-16-10-25-27-20(16)23-12-24-22/h1-10,12H,11H2,(H,26,29)(H,23,24,25,27)