ethyl 2-[2-[4-azanyl-3-methyl-2,6-bis(oxidanylidene)-5-piperidin-1-yl-pyrimidin-1-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 2-[2-[4-azanyl-3-methyl-2,6-bis(oxidanylidene)-5-piperidin-1-yl-pyrimidin-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[4-amino-3-methyl-2,6-dioxo-5-(1-piperidyl)pyrimidin-1-yl]acetyl]amino]benzoate CAS Name: 2-[[2-[4-amino-3-methyl-2,6-dioxo-5-(1-piperidinyl)-1-pyrimidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)acetyl]amino]benzoate Traditional Name: 2-[[2-(4-amino-2,6-diketo-3-methyl-5-piperidino-pyrimidin-1-yl)acetyl]amino]benzoic acid ethyl ester Formula: C21H27N5O5 MolecularWeight: 429.46958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CN2C(=O)C(=C(N(C2=O)C)N)N3CCCCC3

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CN2C(=O)C(=C(N(C2=O)C)N)N3CCCCC3

InChI

InChI=1S/C21H27N5O5/c1-3-31-20(29)14-9-5-6-10-15(14)23-16(27)13-26-19(28)17(18(22)24(2)21(26)30)25-11-7-4-8-12-25/h5-6,9-10H,3-4,7-8,11-13,22H2,1-2H3,(H,23,27)