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

Systemtic Name: 2-methylpropyl 4-[[5-azanyl-6-[(3-methoxyphenyl)amino]pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[5-amino-6-(3-methoxyanilino)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-amino-6-(3-methoxyanilino)-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[5-amino-6-(3-methoxyanilino)pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-amino-6-(m-anisidino)pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC(=CC=C3)OC)N

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC(=CC=C3)OC)N

InChI

InChI=1S/C22H25N5O3/c1-14(2)12-30-22(28)15-7-9-16(10-8-15)26-20-19(23)21(25-13-24-20)27-17-5-4-6-18(11-17)29-3/h4-11,13-14H,12,23H2,1-3H3,(H2,24,25,26,27)