5-methoxy-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide

Systemtic Name: 5-methoxy-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide Openeye Name: 5-methoxy-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide CAS Name: 5-methoxy-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-1H-indole-2-carboxamide IUPAC Name: 5-methoxy-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indole-2-carboxamide Traditional Name: 5-methoxy-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-1H-indole-2-carboxamide Formula: C22H18N6O2S MolecularWeight: 430.48232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=C2)C(=O)NC3=CC=CC(=C3)CSC4=NC=NC5=C4C=NN5

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=C2)C(=O)NC3=CC=CC(=C3)CSC4=NC=NC5=C4C=NN5

InChI

InChI=1S/C22H18N6O2S/c1-30-16-5-6-18-14(8-16)9-19(27-18)21(29)26-15-4-2-3-13(7-15)11-31-22-17-10-25-28-20(17)23-12-24-22/h2-10,12,27H,11H2,1H3,(H,26,29)(H,23,24,25,28)