ethyl 4-[4-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]-1,4-diazepane-1-carboxylate

Systemtic Name: ethyl 4-[4-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]-1,4-diazepane-1-carboxylate Openeye Name: ethyl 4-[4-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]-1,4-diazepane-1-carboxylate CAS Name: 4-[4-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyrimidinyl]-1,4-diazepane-1-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[4-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]-1,4-diazepane-1-carboxylic acid ethyl ester Formula: C20H24N6O3 MolecularWeight: 396.44296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCCN(CC1)C2=NC=CC(=N2)C3=CNC4=NC=C(C=C34)OC

Isomeric SMILES

CCOC(=O)N1CCCN(CC1)C2=NC=CC(=N2)C3=CNC4=NC=C(C=C34)OC

InChI

InChI=1S/C20H24N6O3/c1-3-29-20(27)26-8-4-7-25(9-10-26)19-21-6-5-17(24-19)16-13-23-18-15(16)11-14(28-2)12-22-18/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,22,23)