ethyl-[(1-methylpyrazol-4-yl)methyl]-[[4-(4-oxidanylidene-6-propan-2-yl-1H-pyrimidin-2-yl)phenyl]methyl]azanium

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=C(C=C1)C2=NC(=O)C=C(N2)C(C)C)CC3=CN(N=C3)C

Isomeric SMILES

CC[NH+](CC1=CC=C(C=C1)C2=NC(=O)C=C(N2)C(C)C)CC3=CN(N=C3)C

InChI

InChI=1S/C21H27N5O/c1-5-26(14-17-11-22-25(4)12-17)13-16-6-8-18(9-7-16)21-23-19(15(2)3)10-20(27)24-21/h6-12,15H,5,13-14H2,1-4H3,(H,23,24,27)/p+1