ethyl 4-[3-(2-azanylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-(2-azanylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate CAS Name: 4-[3-(2-amino-4-pyrimidinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C18H21N7O2 MolecularWeight: 367.40504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C3C(=CNC3=NC=C2)C4=NC(=NC=C4)N

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C3C(=CNC3=NC=C2)C4=NC(=NC=C4)N

InChI

InChI=1S/C18H21N7O2/c1-2-27-18(26)25-9-7-24(8-10-25)14-4-6-20-16-15(14)12(11-22-16)13-3-5-21-17(19)23-13/h3-6,11H,2,7-10H2,1H3,(H,20,22)(H2,19,21,23)