N-(3-imidazol-1-ylpropyl)-N-[2-(propan-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-N-[2-(propan-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide Openeye Name: N-(3-imidazol-1-ylpropyl)-N-[2-(isopropylamino)pyrimidin-4-yl]-2,3-dihydrobenzofuran-5-carboxamide CAS Name: N-[3-(1-imidazolyl)propyl]-N-[2-(propan-2-ylamino)-4-pyrimidinyl]-2,3-dihydrobenzofuran-5-carboxamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-N-[2-(propan-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide Traditional Name: N-(3-imidazol-1-ylpropyl)-N-[2-(isopropylamino)pyrimidin-4-yl]coumaran-5-carboxamide Formula: C22H26N6O2 MolecularWeight: 406.48084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC=CC(=N1)N(CCCN2C=CN=C2)C(=O)C3=CC4=C(C=C3)OCC4

Isomeric SMILES

CC(C)NC1=NC=CC(=N1)N(CCCN2C=CN=C2)C(=O)C3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C22H26N6O2/c1-16(2)25-22-24-8-6-20(26-22)28(11-3-10-27-12-9-23-15-27)21(29)18-4-5-19-17(14-18)7-13-30-19/h4-6,8-9,12,14-16H,3,7,10-11,13H2,1-2H3,(H,24,25,26)