tert-butyl 2-[[4-(azepan-1-yl)pyrimidin-2-yl]-pyrrolidin-2-yl-amino]ethanoate

Systemtic Name: tert-butyl 2-[[4-(azepan-1-yl)pyrimidin-2-yl]-pyrrolidin-2-yl-amino]ethanoate Openeye Name: tert-butyl 2-[[4-(azepan-1-yl)pyrimidin-2-yl]-pyrrolidin-2-yl-amino]acetate CAS Name: 2-[[4-(1-azepanyl)-2-pyrimidinyl]-(2-pyrrolidinyl)amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-(azepan-1-yl)pyrimidin-2-yl]-pyrrolidin-2-ylamino]acetate Traditional Name: 2-[[4-(azepan-1-yl)pyrimidin-2-yl]-pyrrolidin-2-yl-amino]acetic acid tert-butyl ester Formula: C20H33N5O2 MolecularWeight: 375.50832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C1CCCN1)C2=NC=CC(=N2)N3CCCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)CN(C1CCCN1)C2=NC=CC(=N2)N3CCCCCC3

InChI

InChI=1S/C20H33N5O2/c1-20(2,3)27-18(26)15-25(16-9-8-11-21-16)19-22-12-10-17(23-19)24-13-6-4-5-7-14-24/h10,12,16,21H,4-9,11,13-15H2,1-3H3