methyl 4-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]carbonylbenzoate

Systemtic Name: methyl 4-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-(6-morpholinopyrimidin-4-yl)piperazine-1-carbonyl]benzoate CAS Name: 4-[[4-[6-(4-morpholinyl)-4-pyrimidinyl]-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]benzoate Traditional Name: 4-[4-(6-morpholinopyrimidin-4-yl)piperazine-1-carbonyl]benzoic acid methyl ester Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O4/c1-29-21(28)17-4-2-16(3-5-17)20(27)26-8-6-24(7-9-26)18-14-19(23-15-22-18)25-10-12-30-13-11-25/h2-5,14-15H,6-13H2,1H3