dimethyl 5-[[5-azanyl-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[5-azanyl-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[5-amino-6-(3-pyridylmethylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[5-amino-6-(3-pyridinylmethylamino)-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[5-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[5-amino-6-(3-pyridylmethylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H20N6O4 MolecularWeight: 408.4106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N6O4/c1-29-19(27)13-6-14(20(28)30-2)8-15(7-13)26-18-16(21)17(24-11-25-18)23-10-12-4-3-5-22-9-12/h3-9,11H,10,21H2,1-2H3,(H2,23,24,25,26)