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

Systemtic Name: methyl 4-[[5-azanyl-6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[5-amino-6-(4-pyridylamino)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-amino-6-(pyridin-4-ylamino)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-amino-6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-amino-6-(4-pyridylamino)pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C17H16N6O2 MolecularWeight: 336.34794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N6O2/c1-25-17(24)11-2-4-12(5-3-11)22-15-14(18)16(21-10-20-15)23-13-6-8-19-9-7-13/h2-10H,18H2,1H3,(H2,19,20,21,22,23)