methyl-(2-methylpropyl)-[[4-[4-oxidanylidene-6-(2-pyrazol-1-ylethyl)-1H-pyrimidin-2-yl]phenyl]methyl]azanium

Systemtic Name: methyl-(2-methylpropyl)-[[4-[4-oxidanylidene-6-(2-pyrazol-1-ylethyl)-1H-pyrimidin-2-yl]phenyl]methyl]azanium Openeye Name: isobutyl-methyl-[[4-[4-oxo-6-(2-pyrazol-1-ylethyl)-1H-pyrimidin-2-yl]phenyl]methyl]ammonium CAS Name: methyl-(2-methylpropyl)-[[4-[4-oxo-6-[2-(1-pyrazolyl)ethyl]-1H-pyrimidin-2-yl]phenyl]methyl]ammonium IUPAC Name: methyl-(2-methylpropyl)-[[4-[4-oxo-6-(2-pyrazol-1-ylethyl)-1H-pyrimidin-2-yl]phenyl]methyl]azanium Traditional Name: isobutyl-[4-[4-keto-6-(2-pyrazol-1-ylethyl)-1H-pyrimidin-2-yl]benzyl]-methyl-ammonium Formula: C21H28N5O+ MolecularWeight: 366.47992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](C)CC1=CC=C(C=C1)C2=NC(=O)C=C(N2)CCN3C=CC=N3

Isomeric SMILES

CC(C)C[NH+](C)CC1=CC=C(C=C1)C2=NC(=O)C=C(N2)CCN3C=CC=N3

InChI

InChI=1S/C21H27N5O/c1-16(2)14-25(3)15-17-5-7-18(8-6-17)21-23-19(13-20(27)24-21)9-12-26-11-4-10-22-26/h4-8,10-11,13,16H,9,12,14-15H2,1-3H3,(H,23,24,27)/p+1