2-(2,3-dihydroindol-1-yl)-4-ethoxy-N-(2-oxidanylideneazepan-3-yl)pyrimidine-5-carboxamide

Systemtic Name: 2-(2,3-dihydroindol-1-yl)-4-ethoxy-N-(2-oxidanylideneazepan-3-yl)pyrimidine-5-carboxamide Openeye Name: 4-ethoxy-2-indolin-1-yl-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide CAS Name: 2-(2,3-dihydroindol-1-yl)-4-ethoxy-N-(2-oxo-3-azepanyl)-5-pyrimidinecarboxamide IUPAC Name: 2-(2,3-dihydroindol-1-yl)-4-ethoxy-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide Traditional Name: 4-ethoxy-2-indolin-1-yl-N-(2-ketoazepan-3-yl)pyrimidine-5-carboxamide Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=NC=C1C(=O)NC2CCCCNC2=O)N3CCC4=CC=CC=C43

Isomeric SMILES

CCOC1=NC(=NC=C1C(=O)NC2CCCCNC2=O)N3CCC4=CC=CC=C43

InChI

InChI=1S/C21H25N5O3/c1-2-29-20-15(18(27)24-16-8-5-6-11-22-19(16)28)13-23-21(25-20)26-12-10-14-7-3-4-9-17(14)26/h3-4,7,9,13,16H,2,5-6,8,10-12H2,1H3,(H,22,28)(H,24,27)