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

Systemtic Name: (2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylazaniumyl)-3-methyl-butanoate Openeye Name: (2S)-2-(benzofuro[3,2-d]pyrimidin-4-ylammonio)-3-methyl-butanoate CAS Name: (2S)-2-(4-benzofuro[3,2-d]pyrimidinylammonio)-3-methylbutanoate IUPAC Name: (2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylazaniumyl)-3-methylbutanoate Traditional Name: (2S)-2-(benzofuro[3,2-d]pyrimidin-4-ylammonio)-3-methyl-butyrate Formula: C15H15N3O3 MolecularWeight: 285.2979

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O3/c1-8(2)11(15(19)20)18-14-13-12(16-7-17-14)9-5-3-4-6-10(9)21-13/h3-8,11H,1-2H3,(H,19,20)(H,16,17,18)/t11-/m0/s1