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

Systemtic Name: [4-[[2-azanyl-6-(5-chloranyl-2-ethoxy-phenyl)pyrimidin-4-yl]amino]phenyl]methyl 2-azanylethanoate Openeye Name: [4-[[2-amino-6-(5-chloro-2-ethoxy-phenyl)pyrimidin-4-yl]amino]phenyl]methyl 2-aminoacetate CAS Name: 2-aminoacetic 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-aminoacetate Traditional Name: 2-aminoacetic acid [4-[[2-amino-6-(5-chloro-2-ethoxy-phenyl)pyrimidin-4-yl]amino]benzyl] ester Formula: C21H22ClN5O3 MolecularWeight: 427.88408

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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)CN

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN5O3/c1-2-29-18-8-5-14(22)9-16(18)17-10-19(27-21(24)26-17)25-15-6-3-13(4-7-15)12-30-20(28)11-23/h3-10H,2,11-12,23H2,1H3,(H3,24,25,26,27)