5-chloranyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-2-pyrrolidin-1-yl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-2-pyrrolidin-1-yl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[3-(2-oxoazepan-1-yl)propyl]-2-pyrrolidin-1-yl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[3-(2-oxo-1-azepanyl)propyl]-2-(1-pyrrolidinyl)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[3-(2-oxoazepan-1-yl)propyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[3-(2-ketoazepan-1-yl)propyl]-2-pyrrolidino-pyrimidine-4-carboxamide Formula: C18H26ClN5O2 MolecularWeight: 379.88434

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)C2=NC(=NC=C2Cl)N3CCCC3

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)C2=NC(=NC=C2Cl)N3CCCC3

InChI

InChI=1S/C18H26ClN5O2/c19-14-13-21-18(24-10-4-5-11-24)22-16(14)17(26)20-8-6-12-23-9-3-1-2-7-15(23)25/h13H,1-12H2,(H,20,26)