butyl 2-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]ethanoate

Systemtic Name: butyl 2-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]ethanoate Openeye Name: butyl 2-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]acetate CAS Name: 2-[3-[[4-(1-azepanyl)-2-pyrimidinyl]amino]-1-pyrrolidinyl]acetic acid butyl ester IUPAC Name: butyl 2-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]acetate Traditional Name: 2-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]pyrrolidino]acetic acid butyl ester Formula: C20H33N5O2 MolecularWeight: 375.50832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CN1CCC(C1)NC2=NC=CC(=N2)N3CCCCCC3

Isomeric SMILES

CCCCOC(=O)CN1CCC(C1)NC2=NC=CC(=N2)N3CCCCCC3

InChI

InChI=1S/C20H33N5O2/c1-2-3-14-27-19(26)16-24-13-9-17(15-24)22-20-21-10-8-18(23-20)25-11-6-4-5-7-12-25/h8,10,17H,2-7,9,11-16H2,1H3,(H,21,22,23)