2-(3-methylphenoxy)-1-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-(3-methylphenoxy)-1-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one Openeye Name: 2-(3-methylphenoxy)-1-[4-(6-morpholinopyrimidin-4-yl)piperazin-1-yl]propan-1-one CAS Name: 2-(3-methylphenoxy)-1-[4-[6-(4-morpholinyl)-4-pyrimidinyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-(3-methylphenoxy)-1-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one Traditional Name: 2-(3-methylphenoxy)-1-[4-(6-morpholinopyrimidin-4-yl)piperazino]propan-1-one Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O3/c1-17-4-3-5-19(14-17)30-18(2)22(28)27-8-6-25(7-9-27)20-15-21(24-16-23-20)26-10-12-29-13-11-26/h3-5,14-16,18H,6-13H2,1-2H3