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

Systemtic Name: (3-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium Openeye Name: (1-carboxy-2-methyl-butyl)-(2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)ammonium CAS Name: (1-hydroxy-3-methyl-1-oxopentan-2-yl)-(2-phenyl-4-benzofuro[3,2-d]pyrimidinyl)ammonium IUPAC Name: (1-hydroxy-3-methyl-1-oxopentan-2-yl)-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium Traditional Name: (1-carboxy-2-methyl-butyl)-(2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)ammonium Formula: C22H22N3O3+ MolecularWeight: 376.42838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O3/c1-3-13(2)17(22(26)27)23-21-19-18(15-11-7-8-12-16(15)28-19)24-20(25-21)14-9-5-4-6-10-14/h4-13,17H,3H2,1-2H3,(H,26,27)(H,23,24,25)/p+1