ethyl 4-[4-[(6-chloranylpyrimidin-4-yl)amino]butanoylamino]benzoate

Systemtic Name: ethyl 4-[4-[(6-chloranylpyrimidin-4-yl)amino]butanoylamino]benzoate Openeye Name: ethyl 4-[4-[(6-chloropyrimidin-4-yl)amino]butanoylamino]benzoate CAS Name: 4-[[4-[(6-chloro-4-pyrimidinyl)amino]-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(6-chloropyrimidin-4-yl)amino]butanoylamino]benzoate Traditional Name: 4-[4-[(6-chloropyrimidin-4-yl)amino]butanoylamino]benzoic acid ethyl ester Formula: C17H19ClN4O3 MolecularWeight: 362.81076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCCNC2=CC(=NC=N2)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCCNC2=CC(=NC=N2)Cl

InChI

InChI=1S/C17H19ClN4O3/c1-2-25-17(24)12-5-7-13(8-6-12)22-16(23)4-3-9-19-15-10-14(18)20-11-21-15/h5-8,10-11H,2-4,9H2,1H3,(H,22,23)(H,19,20,21)