ethyl 3-[[5-azanyl-6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 3-[[5-azanyl-6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[5-amino-6-(4-pyridylamino)pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[5-amino-6-(pyridin-4-ylamino)-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[5-amino-6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[5-amino-6-(4-pyridylamino)pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C18H18N6O2 MolecularWeight: 350.37452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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