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

Systemtic Name: ethyl 4-[[5-azanyl-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[5-amino-6-(3-pyridylmethylamino)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-amino-6-(3-pyridinylmethylamino)-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-amino-6-(3-pyridylmethylamino)pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C19H20N6O2 MolecularWeight: 364.4011

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CN=CC=C3)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CN=CC=C3)N

InChI

InChI=1S/C19H20N6O2/c1-2-27-19(26)14-5-7-15(8-6-14)25-18-16(20)17(23-12-24-18)22-11-13-4-3-9-21-10-13/h3-10,12H,2,11,20H2,1H3,(H2,22,23,24,25)