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

Systemtic Name: methyl 4-[5-azanyl-6-(pyridin-4-ylamino)pyrimidin-4-yl]oxybenzoate Openeye Name: methyl 4-[5-amino-6-(4-pyridylamino)pyrimidin-4-yl]oxybenzoate CAS Name: 4-[[5-amino-6-(pyridin-4-ylamino)-4-pyrimidinyl]oxy]benzoic acid methyl ester IUPAC Name: methyl 4-[5-amino-6-(pyridin-4-ylamino)pyrimidin-4-yl]oxybenzoate Traditional Name: 4-[5-amino-6-(4-pyridylamino)pyrimidin-4-yl]oxybenzoic acid methyl ester Formula: C17H15N5O3 MolecularWeight: 337.3327

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OC2=NC=NC(=C2N)NC3=CC=NC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC2=NC=NC(=C2N)NC3=CC=NC=C3

InChI

InChI=1S/C17H15N5O3/c1-24-17(23)11-2-4-13(5-3-11)25-16-14(18)15(20-10-21-16)22-12-6-8-19-9-7-12/h2-10H,18H2,1H3,(H,19,20,21,22)