3-[[6-(4-acetamidophenyl)sulfanylpyrimidin-4-yl]amino]propyl-diethyl-azanium

Systemtic Name: 3-[[6-(4-acetamidophenyl)sulfanylpyrimidin-4-yl]amino]propyl-diethyl-azanium Openeye Name: 3-[[6-(4-acetamidophenyl)sulfanylpyrimidin-4-yl]amino]propyl-diethyl-ammonium CAS Name: 3-[[6-[(4-acetamidophenyl)thio]-4-pyrimidinyl]amino]propyl-diethylammonium IUPAC Name: 3-[[6-(4-acetamidophenyl)sulfanylpyrimidin-4-yl]amino]propyl-diethylazanium Traditional Name: 3-[[6-[(4-acetamidophenyl)thio]pyrimidin-4-yl]amino]propyl-diethyl-ammonium Formula: C19H28N5OS+ MolecularWeight: 374.52352

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC1=CC(=NC=N1)SC2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC[NH+](CC)CCCNC1=CC(=NC=N1)SC2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C19H27N5OS/c1-4-24(5-2)12-6-11-20-18-13-19(22-14-21-18)26-17-9-7-16(8-10-17)23-15(3)25/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,23,25)(H,20,21,22)/p+1