ethyl 4-[3-[(5-azanyl-6-chloranyl-pyrimidin-4-yl)amino]propanoylamino]benzoate

Systemtic Name: ethyl 4-[3-[(5-azanyl-6-chloranyl-pyrimidin-4-yl)amino]propanoylamino]benzoate Openeye Name: ethyl 4-[3-[(5-amino-6-chloro-pyrimidin-4-yl)amino]propanoylamino]benzoate CAS Name: 4-[[3-[(5-amino-6-chloro-4-pyrimidinyl)amino]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(5-amino-6-chloropyrimidin-4-yl)amino]propanoylamino]benzoate Traditional Name: 4-[3-[(5-amino-6-chloro-pyrimidin-4-yl)amino]propanoylamino]benzoic acid ethyl ester Formula: C16H18ClN5O3 MolecularWeight: 363.79882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCNC2=C(C(=NC=N2)Cl)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCNC2=C(C(=NC=N2)Cl)N

InChI

InChI=1S/C16H18ClN5O3/c1-2-25-16(24)10-3-5-11(6-4-10)22-12(23)7-8-19-15-13(18)14(17)20-9-21-15/h3-6,9H,2,7-8,18H2,1H3,(H,22,23)(H,19,20,21)