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

Systemtic Name: 2-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-6-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-4-one Openeye Name: 2-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-6-(isopropylsulfanylmethyl)-1H-pyrimidin-4-one CAS Name: 2-[4-[(4-aminophenyl)methyl]-1-piperazin-4-iumyl]-6-[(propan-2-ylthio)methyl]-1H-pyrimidin-4-one IUPAC Name: 2-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-6-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-4-one Traditional Name: 2-[4-(4-aminobenzyl)piperazin-4-ium-1-yl]-6-[(isopropylthio)methyl]-1H-pyrimidin-4-one Formula: C19H28N5OS+ MolecularWeight: 374.52352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCC1=CC(=O)N=C(N1)N2CC[NH+](CC2)CC3=CC=C(C=C3)N

Isomeric SMILES

CC(C)SCC1=CC(=O)N=C(N1)N2CC[NH+](CC2)CC3=CC=C(C=C3)N

InChI

InChI=1S/C19H27N5OS/c1-14(2)26-13-17-11-18(25)22-19(21-17)24-9-7-23(8-10-24)12-15-3-5-16(20)6-4-15/h3-6,11,14H,7-10,12-13,20H2,1-2H3,(H,21,22,25)/p+1