N-(1-azanyl-3-phenyl-propan-2-yl)-4-bromanyl-3-methoxy-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide

Systemtic Name: N-(1-azanyl-3-phenyl-propan-2-yl)-4-bromanyl-3-methoxy-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide Openeye Name: N-[1-(aminomethyl)-2-phenyl-ethyl]-4-bromo-3-methoxy-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide CAS Name: N-(1-amino-3-phenylpropan-2-yl)-4-bromo-3-methoxy-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-thiophenecarboxamide IUPAC Name: N-(1-amino-3-phenylpropan-2-yl)-4-bromo-3-methoxy-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide Traditional Name: N-[1-(aminomethyl)-2-phenyl-ethyl]-4-bromo-3-methoxy-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide Formula: C22H21BrN4O2S MolecularWeight: 485.39674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(SC(=C1Br)C2=C3C=CNC3=NC=C2)C(=O)NC(CC4=CC=CC=C4)CN

Isomeric SMILES

COC1=C(SC(=C1Br)C2=C3C=CNC3=NC=C2)C(=O)NC(CC4=CC=CC=C4)CN

InChI

InChI=1S/C22H21BrN4O2S/c1-29-18-17(23)19(15-7-9-25-21-16(15)8-10-26-21)30-20(18)22(28)27-14(12-24)11-13-5-3-2-4-6-13/h2-10,14H,11-12,24H2,1H3,(H,25,26)(H,27,28)