methyl 2-[[5-azanyl-6-(pyridin-4-ylamino)pyrimidin-4-yl]-methyl-amino]benzoate

Systemtic Name: methyl 2-[[5-azanyl-6-(pyridin-4-ylamino)pyrimidin-4-yl]-methyl-amino]benzoate Openeye Name: methyl 2-[[5-amino-6-(4-pyridylamino)pyrimidin-4-yl]-methyl-amino]benzoate CAS Name: 2-[[5-amino-6-(pyridin-4-ylamino)-4-pyrimidinyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-amino-6-(pyridin-4-ylamino)pyrimidin-4-yl]-methylamino]benzoate Traditional Name: 2-[[5-amino-6-(4-pyridylamino)pyrimidin-4-yl]-methyl-amino]benzoic acid methyl ester Formula: C18H18N6O2 MolecularWeight: 350.37452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N6O2/c1-24(14-6-4-3-5-13(14)18(25)26-2)17-15(19)16(21-11-22-17)23-12-7-9-20-10-8-12/h3-11H,19H2,1-2H3,(H,20,21,22,23)