methyl 4-[[5-azanyl-6-[ethyl-(3-methylphenyl)amino]pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 4-[[5-azanyl-6-[ethyl-(3-methylphenyl)amino]pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[5-amino-6-(N-ethyl-3-methyl-anilino)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-amino-6-(N-ethyl-3-methylanilino)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-amino-6-(N-ethyl-3-methylanilino)pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-amino-6-(N-ethyl-3-methyl-anilino)pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2N)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2N)NC3=CC=C(C=C3)C(=O)OC

InChI

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