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

Systemtic Name: propyl 4-[4-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]-1,4-diazepane-1-carboxylate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C21H26N6O3 MolecularWeight: 410.46954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N6O3/c1-3-11-30-21(28)27-8-4-7-26(9-10-27)20-22-6-5-18(25-20)17-14-24-19-16(17)12-15(29-2)13-23-19/h5-6,12-14H,3-4,7-11H2,1-2H3,(H,23,24)