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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15N5O3S/c28-20(16-9-14-5-1-2-7-18(14)30-22(16)29)26-15-6-3-4-13(8-15)11-31-21-17-10-25-27-19(17)23-12-24-21/h1-10,12H,11H2,(H,26,28)(H,23,24,25,27)