methyl 4-[5-[(4-ethanoylpiperazin-1-yl)carbonylamino]-6-oxidanylidene-2-phenyl-pyrimidin-1-yl]-2-methylidene-3-oxidanyl-butanoate

Systemtic Name: methyl 4-[5-[(4-ethanoylpiperazin-1-yl)carbonylamino]-6-oxidanylidene-2-phenyl-pyrimidin-1-yl]-2-methylidene-3-oxidanyl-butanoate Openeye Name: methyl 4-[5-[(4-acetylpiperazine-1-carbonyl)amino]-6-oxo-2-phenyl-pyrimidin-1-yl]-3-hydroxy-2-methylene-butanoate CAS Name: 4-[5-[[(4-acetyl-1-piperazinyl)-oxomethyl]amino]-6-oxo-2-phenyl-1-pyrimidinyl]-3-hydroxy-2-methylenebutanoic acid methyl ester IUPAC Name: methyl 4-[5-[(4-acetylpiperazine-1-carbonyl)amino]-6-oxo-2-phenylpyrimidin-1-yl]-3-hydroxy-2-methylidenebutanoate Traditional Name: 2-[2-[5-[(4-acetylpiperazine-1-carbonyl)amino]-6-keto-2-phenyl-pyrimidin-1-yl]-1-hydroxy-ethyl]acrylic acid methyl ester Formula: C23H27N5O6 MolecularWeight: 469.49038

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)NC2=CN=C(N(C2=O)CC(C(=C)C(=O)OC)O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)NC2=CN=C(N(C2=O)CC(C(=C)C(=O)OC)O)C3=CC=CC=C3

InChI

InChI=1S/C23H27N5O6/c1-15(22(32)34-3)19(30)14-28-20(17-7-5-4-6-8-17)24-13-18(21(28)31)25-23(33)27-11-9-26(10-12-27)16(2)29/h4-8,13,19,30H,1,9-12,14H2,2-3H3,(H,25,33)