3-[(4-ethylphenyl)methyl]-6-[(6-morpholin-4-ylpyridin-3-yl)amino]-1H-pyrimidin-3-ium-2-one

Systemtic Name: 3-[(4-ethylphenyl)methyl]-6-[(6-morpholin-4-ylpyridin-3-yl)amino]-1H-pyrimidin-3-ium-2-one Openeye Name: 3-[(4-ethylphenyl)methyl]-6-[(6-morpholino-3-pyridyl)amino]-1H-pyrimidin-3-ium-2-one CAS Name: 3-[(4-ethylphenyl)methyl]-6-[[6-(4-morpholinyl)-3-pyridinyl]amino]-1H-pyrimidin-3-ium-2-one IUPAC Name: 3-[(4-ethylphenyl)methyl]-6-[(6-morpholin-4-ylpyridin-3-yl)amino]-1H-pyrimidin-3-ium-2-one Traditional Name: 3-(4-ethylbenzyl)-6-[(6-morpholino-3-pyridyl)amino]-1H-pyrimidin-3-ium-2-one Formula: C22H26N5O2+ MolecularWeight: 392.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[N+]2=CC=C(NC2=O)NC3=CN=C(C=C3)N4CCOCC4

Isomeric SMILES

CCC1=CC=C(C=C1)C[N+]2=CC=C(NC2=O)NC3=CN=C(C=C3)N4CCOCC4

InChI

InChI=1S/C22H25N5O2/c1-2-17-3-5-18(6-4-17)16-27-10-9-20(25-22(27)28)24-19-7-8-21(23-15-19)26-11-13-29-14-12-26/h3-10,15H,2,11-14,16H2,1H3,(H,24,25,28)/p+1