2-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-6-(ethylsulfanylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-6-(ethylsulfanylmethyl)-1H-pyrimidin-4-one Openeye Name: 2-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-6-(ethylsulfanylmethyl)-1H-pyrimidin-4-one CAS Name: 2-[4-[(4-aminophenyl)methyl]-1-piperazin-4-iumyl]-6-[(ethylthio)methyl]-1H-pyrimidin-4-one IUPAC Name: 2-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-6-(ethylsulfanylmethyl)-1H-pyrimidin-4-one Traditional Name: 2-[4-(4-aminobenzyl)piperazin-4-ium-1-yl]-6-[(ethylthio)methyl]-1H-pyrimidin-4-one Formula: C18H26N5OS+ MolecularWeight: 360.49694

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1=CC(=O)N=C(N1)N2CC[NH+](CC2)CC3=CC=C(C=C3)N

Isomeric SMILES

CCSCC1=CC(=O)N=C(N1)N2CC[NH+](CC2)CC3=CC=C(C=C3)N

InChI

InChI=1S/C18H25N5OS/c1-2-25-13-16-11-17(24)21-18(20-16)23-9-7-22(8-10-23)12-14-3-5-15(19)6-4-14/h3-6,11H,2,7-10,12-13,19H2,1H3,(H,20,21,24)/p+1