[4-[[4-(diethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [4-[[4-(diethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [4-[[4-(diethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [4-[[[4-(diethylamino)-6-ethyl-2-pyrimidinyl]thio]methyl]phenyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [4-[[4-(diethylamino)-6-ethylpyrimidin-2-yl]sulfanylmethyl]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [4-[[[4-(diethylamino)-6-ethyl-pyrimidin-2-yl]thio]methyl]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C23H34N5OS+ MolecularWeight: 428.61396

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)C)N(CC)CC

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)C)N(CC)CC

InChI

InChI=1S/C23H33N5OS/c1-5-20-16-21(27(6-2)7-3)25-23(24-20)30-17-18-8-10-19(11-9-18)22(29)28-14-12-26(4)13-15-28/h8-11,16H,5-7,12-15,17H2,1-4H3/p+1