[4-[[2-azanyl-6-(5-chloranyl-2-ethoxy-phenyl)pyrimidin-4-yl]amino]phenyl]methyl 2-azanylpropanoate

Systemtic Name: [4-[[2-azanyl-6-(5-chloranyl-2-ethoxy-phenyl)pyrimidin-4-yl]amino]phenyl]methyl 2-azanylpropanoate Openeye Name: [4-[[2-amino-6-(5-chloro-2-ethoxy-phenyl)pyrimidin-4-yl]amino]phenyl]methyl 2-aminopropanoate CAS Name: 2-aminopropanoic acid [4-[[2-amino-6-(5-chloro-2-ethoxyphenyl)-4-pyrimidinyl]amino]phenyl]methyl ester IUPAC Name: [4-[[2-amino-6-(5-chloro-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl 2-aminopropanoate Traditional Name: 2-aminopropionic acid [4-[[2-amino-6-(5-chloro-2-ethoxy-phenyl)pyrimidin-4-yl]amino]benzyl] ester Formula: C22H24ClN5O3 MolecularWeight: 441.91066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Cl)C2=CC(=NC(=N2)N)NC3=CC=C(C=C3)COC(=O)C(C)N

Isomeric SMILES

CCOC1=C(C=C(C=C1)Cl)C2=CC(=NC(=N2)N)NC3=CC=C(C=C3)COC(=O)C(C)N

InChI

InChI=1S/C22H24ClN5O3/c1-3-30-19-9-6-15(23)10-17(19)18-11-20(28-22(25)27-18)26-16-7-4-14(5-8-16)12-31-21(29)13(2)24/h4-11,13H,3,12,24H2,1-2H3,(H3,25,26,27,28)