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

Systemtic Name: 6-[(6-morpholin-4-ylpyridin-3-yl)amino]-3-[(4-propan-2-ylphenyl)methyl]-1H-pyrimidin-3-ium-2-one Openeye Name: 3-[(4-isopropylphenyl)methyl]-6-[(6-morpholino-3-pyridyl)amino]-1H-pyrimidin-3-ium-2-one CAS Name: 6-[[6-(4-morpholinyl)-3-pyridinyl]amino]-3-[(4-propan-2-ylphenyl)methyl]-1H-pyrimidin-3-ium-2-one IUPAC Name: 6-[(6-morpholin-4-ylpyridin-3-yl)amino]-3-[(4-propan-2-ylphenyl)methyl]-1H-pyrimidin-3-ium-2-one Traditional Name: 3-(4-isopropylbenzyl)-6-[(6-morpholino-3-pyridyl)amino]-1H-pyrimidin-3-ium-2-one Formula: C23H28N5O2+ MolecularWeight: 406.50072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O2/c1-17(2)19-5-3-18(4-6-19)16-28-10-9-21(26-23(28)29)25-20-7-8-22(24-15-20)27-11-13-30-14-12-27/h3-10,15,17H,11-14,16H2,1-2H3,(H,25,26,29)/p+1