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

Systemtic Name: methyl 2-[[5-azanyl-6-[(3-methoxyphenyl)amino]pyrimidin-4-yl]-methyl-amino]benzoate Openeye Name: methyl 2-[[5-amino-6-(3-methoxyanilino)pyrimidin-4-yl]-methyl-amino]benzoate CAS Name: 2-[[5-amino-6-(3-methoxyanilino)-4-pyrimidinyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-amino-6-(3-methoxyanilino)pyrimidin-4-yl]-methylamino]benzoate Traditional Name: 2-[[5-amino-6-(m-anisidino)pyrimidin-4-yl]-methyl-amino]benzoic acid methyl ester Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2N)NC3=CC(=CC=C3)OC

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2N)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C20H21N5O3/c1-25(16-10-5-4-9-15(16)20(26)28-3)19-17(21)18(22-12-23-19)24-13-7-6-8-14(11-13)27-2/h4-12H,21H2,1-3H3,(H,22,23,24)