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

Systemtic Name: dimethyl 5-[[5-azanyl-6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[5-amino-6-(4-pyridylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[5-amino-6-(pyridin-4-ylamino)-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[5-amino-6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[5-amino-6-(4-pyridylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H18N6O4 MolecularWeight: 394.38402

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC2=NC=NC(=C2N)NC3=CC=NC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC2=NC=NC(=C2N)NC3=CC=NC=C3)C(=O)OC

InChI

InChI=1S/C19H18N6O4/c1-28-18(26)11-7-12(19(27)29-2)9-14(8-11)25-17-15(20)16(22-10-23-17)24-13-3-5-21-6-4-13/h3-10H,20H2,1-2H3,(H2,21,22,23,24,25)