dimethyl 5-[[5-azanyl-6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[5-azanyl-6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(5-amino-6-indolin-1-yl-pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[5-amino-6-(2,3-dihydroindol-1-yl)-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[5-amino-6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(5-amino-6-indolin-1-yl-pyrimidin-4-yl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC2=NC=NC(=C2N)N3CCC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC2=NC=NC(=C2N)N3CCC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C22H21N5O4/c1-30-21(28)14-9-15(22(29)31-2)11-16(10-14)26-19-18(23)20(25-12-24-19)27-8-7-13-5-3-4-6-17(13)27/h3-6,9-12H,7-8,23H2,1-2H3,(H,24,25,26)