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

Systemtic Name: 2-methylpropyl 4-[[5-azanyl-6-[ethyl-(3-methylphenyl)amino]pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C24H29N5O2 MolecularWeight: 419.51936

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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)OCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H29N5O2/c1-5-29(20-8-6-7-17(4)13-20)23-21(25)22(26-15-27-23)28-19-11-9-18(10-12-19)24(30)31-14-16(2)3/h6-13,15-16H,5,14,25H2,1-4H3,(H,26,27,28)