methyl-[[4-(4-oxidanylidene-6-pyridin-3-yl-1H-pyrimidin-2-yl)phenyl]methyl]-(1,3-thiazol-2-ylmethyl)azanium

Systemtic Name: methyl-[[4-(4-oxidanylidene-6-pyridin-3-yl-1H-pyrimidin-2-yl)phenyl]methyl]-(1,3-thiazol-2-ylmethyl)azanium Openeye Name: methyl-[[4-[4-oxo-6-(3-pyridyl)-1H-pyrimidin-2-yl]phenyl]methyl]-(thiazol-2-ylmethyl)ammonium CAS Name: methyl-[[4-[4-oxo-6-(3-pyridinyl)-1H-pyrimidin-2-yl]phenyl]methyl]-(2-thiazolylmethyl)ammonium IUPAC Name: methyl-[[4-(4-oxo-6-pyridin-3-yl-1H-pyrimidin-2-yl)phenyl]methyl]-(1,3-thiazol-2-ylmethyl)azanium Traditional Name: [4-[4-keto-6-(3-pyridyl)-1H-pyrimidin-2-yl]benzyl]-methyl-(thiazol-2-ylmethyl)ammonium Formula: C21H20N5OS+ MolecularWeight: 390.4814

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)C2=NC(=O)C=C(N2)C3=CN=CC=C3)CC4=NC=CS4

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)C2=NC(=O)C=C(N2)C3=CN=CC=C3)CC4=NC=CS4

InChI

InChI=1S/C21H19N5OS/c1-26(14-20-23-9-10-28-20)13-15-4-6-16(7-5-15)21-24-18(11-19(27)25-21)17-3-2-8-22-12-17/h2-12H,13-14H2,1H3,(H,24,25,27)/p+1