(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylazaniumyl)-4-methyl-pentanoate

Systemtic Name: (2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylazaniumyl)-4-methyl-pentanoate Openeye Name: (2R)-2-(benzofuro[3,2-d]pyrimidin-4-ylammonio)-4-methyl-pentanoate CAS Name: (2R)-2-(4-benzofuro[3,2-d]pyrimidinylammonio)-4-methylpentanoate IUPAC Name: (2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylazaniumyl)-4-methylpentanoate Traditional Name: (2R)-2-(benzofuro[3,2-d]pyrimidin-4-ylammonio)-4-methyl-valerate Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O3/c1-9(2)7-11(16(20)21)19-15-14-13(17-8-18-15)10-5-3-4-6-12(10)22-14/h3-6,8-9,11H,7H2,1-2H3,(H,20,21)(H,17,18,19)/t11-/m1/s1