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

Systemtic Name: 3-(2-azanylethoxy)-N-(1-azanyl-3-phenyl-propan-2-yl)-4-bromanyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide Openeye Name: 3-(2-aminoethoxy)-N-[1-(aminomethyl)-2-phenyl-ethyl]-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide CAS Name: 3-(2-aminoethoxy)-N-(1-amino-3-phenylpropan-2-yl)-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-thiophenecarboxamide IUPAC Name: 3-(2-aminoethoxy)-N-(1-amino-3-phenylpropan-2-yl)-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide Traditional Name: 3-(2-aminoethoxy)-N-[1-(aminomethyl)-2-phenyl-ethyl]-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide Formula: C23H24BrN5O2S MolecularWeight: 514.43796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CN)NC(=O)C2=C(C(=C(S2)C3=C4C=CNC4=NC=C3)Br)OCCN

Isomeric SMILES

C1=CC=C(C=C1)CC(CN)NC(=O)C2=C(C(=C(S2)C3=C4C=CNC4=NC=C3)Br)OCCN

InChI

InChI=1S/C23H24BrN5O2S/c24-18-19(31-11-8-25)21(23(30)29-15(13-26)12-14-4-2-1-3-5-14)32-20(18)16-6-9-27-22-17(16)7-10-28-22/h1-7,9-10,15H,8,11-13,25-26H2,(H,27,28)(H,29,30)