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

Systemtic Name: 2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-2-pyrrolidin-1-yl-butanoic acid Openeye Name: 2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-2-pyrrolidin-1-yl-butanoic acid CAS Name: 2-[[4-(4-azepanyl)-2-pyrimidinyl]amino]-2-(1-pyrrolidinyl)butanoic acid IUPAC Name: 2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-2-pyrrolidin-1-ylbutanoic acid Traditional Name: 2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-2-pyrrolidino-butyric acid Formula: C18H29N5O2 MolecularWeight: 347.45516

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)(NC1=NC=CC(=N1)C2CCCNCC2)N3CCCC3

Isomeric SMILES

CCC(C(=O)O)(NC1=NC=CC(=N1)C2CCCNCC2)N3CCCC3

InChI

InChI=1S/C18H29N5O2/c1-2-18(16(24)25,23-12-3-4-13-23)22-17-20-11-8-15(21-17)14-6-5-9-19-10-7-14/h8,11,14,19H,2-7,9-10,12-13H2,1H3,(H,24,25)(H,20,21,22)