(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium

Systemtic Name: (3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium Openeye Name: (1-carboxy-2-methyl-propyl)-(2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)ammonium CAS Name: (1-hydroxy-3-methyl-1-oxobutan-2-yl)-(2-phenyl-4-benzofuro[3,2-d]pyrimidinyl)ammonium IUPAC Name: (1-hydroxy-3-methyl-1-oxobutan-2-yl)-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium Traditional Name: (1-carboxy-2-methyl-propyl)-(2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)ammonium Formula: C21H20N3O3+ MolecularWeight: 362.4018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)[NH2+]C1=NC(=NC2=C1OC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(C(=O)O)[NH2+]C1=NC(=NC2=C1OC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C21H19N3O3/c1-12(2)16(21(25)26)22-20-18-17(14-10-6-7-11-15(14)27-18)23-19(24-20)13-8-4-3-5-9-13/h3-12,16H,1-2H3,(H,25,26)(H,22,23,24)/p+1