ethyl 4-[4-[(5-azanyl-6-chloranyl-pyrimidin-4-yl)amino]butanoylamino]benzoate

Systemtic Name: ethyl 4-[4-[(5-azanyl-6-chloranyl-pyrimidin-4-yl)amino]butanoylamino]benzoate Openeye Name: ethyl 4-[4-[(5-amino-6-chloro-pyrimidin-4-yl)amino]butanoylamino]benzoate CAS Name: 4-[[4-[(5-amino-6-chloro-4-pyrimidinyl)amino]-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(5-amino-6-chloropyrimidin-4-yl)amino]butanoylamino]benzoate Traditional Name: 4-[4-[(5-amino-6-chloro-pyrimidin-4-yl)amino]butanoylamino]benzoic acid ethyl ester Formula: C17H20ClN5O3 MolecularWeight: 377.8254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN5O3/c1-2-26-17(25)11-5-7-12(8-6-11)23-13(24)4-3-9-20-16-14(19)15(18)21-10-22-16/h5-8,10H,2-4,9,19H2,1H3,(H,23,24)(H,20,21,22)