tert-butyl 2-[5-[[4-(5-carbamimidoylpyrimidin-2-yl)phenoxy]methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoate

Systemtic Name: tert-butyl 2-[5-[[4-(5-carbamimidoylpyrimidin-2-yl)phenoxy]methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoate Openeye Name: tert-butyl 2-[5-[[4-(5-carbamimidoylpyrimidin-2-yl)phenoxy]methyl]-2-oxo-pyrrolidin-3-yl]acetate CAS Name: 2-[5-[[4-(5-carbamimidoyl-2-pyrimidinyl)phenoxy]methyl]-2-oxo-3-pyrrolidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[5-[[4-(5-carbamimidoylpyrimidin-2-yl)phenoxy]methyl]-2-oxopyrrolidin-3-yl]acetate Traditional Name: 2-[5-[[4-(5-amidinopyrimidin-2-yl)phenoxy]methyl]-2-keto-pyrrolidin-3-yl]acetic acid tert-butyl ester Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC1CC(NC1=O)COC2=CC=C(C=C2)C3=NC=C(C=N3)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)CC1CC(NC1=O)COC2=CC=C(C=C2)C3=NC=C(C=N3)C(=N)N

InChI

InChI=1S/C22H27N5O4/c1-22(2,3)31-18(28)9-14-8-16(27-21(14)29)12-30-17-6-4-13(5-7-17)20-25-10-15(11-26-20)19(23)24/h4-7,10-11,14,16H,8-9,12H2,1-3H3,(H3,23,24)(H,27,29)