2-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-5-[(4-propan-2-ylphenyl)methyl]-1H-pyrimidin-4-one

Systemtic Name: 2-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-5-[(4-propan-2-ylphenyl)methyl]-1H-pyrimidin-4-one Openeye Name: 2-(4-ethylpiperazin-4-ium-1-yl)-5-[(4-isopropylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-(4-ethyl-1-piperazin-4-iumyl)-6-methyl-5-[(4-propan-2-ylphenyl)methyl]-1H-pyrimidin-4-one IUPAC Name: 2-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-5-[(4-propan-2-ylphenyl)methyl]-1H-pyrimidin-4-one Traditional Name: 2-(4-ethylpiperazin-4-ium-1-yl)-5-(4-isopropylbenzyl)-6-methyl-1H-pyrimidin-4-one Formula: C21H31N4O+ MolecularWeight: 355.49704

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC(=O)C(=C(N2)C)CC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC(=O)C(=C(N2)C)CC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C21H30N4O/c1-5-24-10-12-25(13-11-24)21-22-16(4)19(20(26)23-21)14-17-6-8-18(9-7-17)15(2)3/h6-9,15H,5,10-14H2,1-4H3,(H,22,23,26)/p+1