4-(4-ethylpiperazin-4-ium-1-yl)-2-(4-methoxyphenyl)-6-propan-2-ylsulfanyl-pyrimidine

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)-2-(4-methoxyphenyl)-6-propan-2-ylsulfanyl-pyrimidine Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)-6-isopropylsulfanyl-2-(4-methoxyphenyl)pyrimidine CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-2-(4-methoxyphenyl)-6-(propan-2-ylthio)pyrimidine IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-yl)-2-(4-methoxyphenyl)-6-propan-2-ylsulfanylpyrimidine Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-6-(isopropylthio)-2-(4-methoxyphenyl)pyrimidine Formula: C20H29N4OS+ MolecularWeight: 373.53546

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=NC(=N2)C3=CC=C(C=C3)OC)SC(C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=NC(=N2)C3=CC=C(C=C3)OC)SC(C)C

InChI

InChI=1S/C20H28N4OS/c1-5-23-10-12-24(13-11-23)18-14-19(26-15(2)3)22-20(21-18)16-6-8-17(25-4)9-7-16/h6-9,14-15H,5,10-13H2,1-4H3/p+1