methyl 4-[[2-(4-ethylpiperazin-1-yl)-4-methyl-pyrimidin-5-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[2-(4-ethylpiperazin-1-yl)-4-methyl-pyrimidin-5-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[2-(4-ethylpiperazin-1-yl)-4-methyl-pyrimidine-5-carbonyl]amino]benzoate CAS Name: 4-[[[2-(4-ethyl-1-piperazinyl)-4-methyl-5-pyrimidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carbonyl]amino]benzoate Traditional Name: 4-[[2-(4-ethylpiperazino)-4-methyl-pyrimidine-5-carbonyl]amino]benzoic acid methyl ester Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC=C(C(=N2)C)C(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCN1CCN(CC1)C2=NC=C(C(=N2)C)C(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H25N5O3/c1-4-24-9-11-25(12-10-24)20-21-13-17(14(2)22-20)18(26)23-16-7-5-15(6-8-16)19(27)28-3/h5-8,13H,4,9-12H2,1-3H3,(H,23,26)