2-(2-methoxy-4-methyl-phenoxy)-1-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-(2-methoxy-4-methyl-phenoxy)-1-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one Openeye Name: 2-(2-methoxy-4-methyl-phenoxy)-1-[4-(6-morpholinopyrimidin-4-yl)piperazin-1-yl]propan-1-one CAS Name: 2-(2-methoxy-4-methylphenoxy)-1-[4-[6-(4-morpholinyl)-4-pyrimidinyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-(2-methoxy-4-methylphenoxy)-1-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one Traditional Name: 2-(2-methoxy-4-methyl-phenoxy)-1-[4-(6-morpholinopyrimidin-4-yl)piperazino]propan-1-one Formula: C23H31N5O4 MolecularWeight: 441.52334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(C)C(=O)N2CCN(CC2)C3=CC(=NC=N3)N4CCOCC4)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OC(C)C(=O)N2CCN(CC2)C3=CC(=NC=N3)N4CCOCC4)OC

InChI

InChI=1S/C23H31N5O4/c1-17-4-5-19(20(14-17)30-3)32-18(2)23(29)28-8-6-26(7-9-28)21-15-22(25-16-24-21)27-10-12-31-13-11-27/h4-5,14-16,18H,6-13H2,1-3H3