ethyl 4-[2-[2-[(2,6-dimethylpyrimidin-4-yl)amino]imidazolidin-1-yl]ethylcarbamoylamino]benzoate

Systemtic Name: ethyl 4-[2-[2-[(2,6-dimethylpyrimidin-4-yl)amino]imidazolidin-1-yl]ethylcarbamoylamino]benzoate Openeye Name: ethyl 4-[2-[2-[(2,6-dimethylpyrimidin-4-yl)amino]imidazolidin-1-yl]ethylcarbamoylamino]benzoate CAS Name: 4-[[[2-[2-[(2,6-dimethyl-4-pyrimidinyl)amino]-1-imidazolidinyl]ethylamino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-[(2,6-dimethylpyrimidin-4-yl)amino]imidazolidin-1-yl]ethylcarbamoylamino]benzoate Traditional Name: 4-[2-[2-[(2,6-dimethylpyrimidin-4-yl)amino]imidazolidin-1-yl]ethylcarbamoylamino]benzoic acid ethyl ester Formula: C21H29N7O3 MolecularWeight: 427.50006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)NCCN2CCNC2NC3=NC(=NC(=C3)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)NCCN2CCNC2NC3=NC(=NC(=C3)C)C

InChI

InChI=1S/C21H29N7O3/c1-4-31-19(29)16-5-7-17(8-6-16)26-21(30)23-10-12-28-11-9-22-20(28)27-18-13-14(2)24-15(3)25-18/h5-8,13,20,22H,4,9-12H2,1-3H3,(H2,23,26,30)(H,24,25,27)