(2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylazaniumyl)butanoate

Systemtic Name: (2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylazaniumyl)butanoate Openeye Name: (2S)-2-(benzofuro[3,2-d]pyrimidin-4-ylammonio)butanoate CAS Name: (2S)-2-(4-benzofuro[3,2-d]pyrimidinylammonio)butanoate IUPAC Name: (2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylazaniumyl)butanoate Traditional Name: (2S)-2-(benzofuro[3,2-d]pyrimidin-4-ylammonio)butyrate Formula: C14H13N3O3 MolecularWeight: 271.27132

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])[NH2+]C1=NC=NC2=C1OC3=CC=CC=C32

Isomeric SMILES

CC[C@@H](C(=O)[O-])[NH2+]C1=NC=NC2=C1OC3=CC=CC=C32

InChI

InChI=1S/C14H13N3O3/c1-2-9(14(18)19)17-13-12-11(15-7-16-13)8-5-3-4-6-10(8)20-12/h3-7,9H,2H2,1H3,(H,18,19)(H,15,16,17)/t9-/m0/s1