methyl 2-[[5-azanyl-6-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl]-methyl-amino]benzoate

Systemtic Name: methyl 2-[[5-azanyl-6-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl]-methyl-amino]benzoate Openeye Name: methyl 2-[[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-methyl-amino]benzoate CAS Name: 2-[[5-amino-6-(3,5-dimethylanilino)-4-pyrimidinyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-methylamino]benzoate Traditional Name: 2-[[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-methyl-amino]benzoic acid methyl ester Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=C(C(=NC=N2)N(C)C3=CC=CC=C3C(=O)OC)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=C(C(=NC=N2)N(C)C3=CC=CC=C3C(=O)OC)N)C

InChI

InChI=1S/C21H23N5O2/c1-13-9-14(2)11-15(10-13)25-19-18(22)20(24-12-23-19)26(3)17-8-6-5-7-16(17)21(27)28-4/h5-12H,22H2,1-4H3,(H,23,24,25)