2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-2-pyrrolidin-1-yl-ethanoic acid

Systemtic Name: 2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-2-pyrrolidin-1-yl-ethanoic acid Openeye Name: 2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-2-pyrrolidin-1-yl-acetic acid CAS Name: 2-[[4-(4-azepanyl)-2-pyrimidinyl]amino]-2-(1-pyrrolidinyl)acetic acid IUPAC Name: 2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-2-pyrrolidin-1-ylacetic acid Traditional Name: 2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-2-pyrrolidino-acetic acid Formula: C16H25N5O2 MolecularWeight: 319.402

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(C(=O)O)NC2=NC=CC(=N2)C3CCCNCC3

Isomeric SMILES

C1CCN(C1)C(C(=O)O)NC2=NC=CC(=N2)C3CCCNCC3

InChI

InChI=1S/C16H25N5O2/c22-15(23)14(21-10-1-2-11-21)20-16-18-9-6-13(19-16)12-4-3-7-17-8-5-12/h6,9,12,14,17H,1-5,7-8,10-11H2,(H,22,23)(H,18,19,20)