3-[[6-[2,6-bis(chloranyl)phenyl]-8-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl]amino]benzoic acid

Systemtic Name: 3-[[6-[2,6-bis(chloranyl)phenyl]-8-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl]amino]benzoic acid Openeye Name: 3-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxo-pyrido[2,3-d]pyrimidin-2-yl]amino]benzoic acid CAS Name: 3-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxo-2-pyrido[2,3-d]pyrimidinyl]amino]benzoic acid IUPAC Name: 3-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]benzoic acid Traditional Name: 3-[[6-(2,6-dichlorophenyl)-7-keto-8-methyl-pyrido[2,3-d]pyrimidin-2-yl]amino]benzoic acid Formula: C21H14Cl2N4O3 MolecularWeight: 441.26686

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=NC=C2C=C(C1=O)C3=C(C=CC=C3Cl)Cl)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CN1C2=NC(=NC=C2C=C(C1=O)C3=C(C=CC=C3Cl)Cl)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C21H14Cl2N4O3/c1-27-18-12(9-14(19(27)28)17-15(22)6-3-7-16(17)23)10-24-21(26-18)25-13-5-2-4-11(8-13)20(29)30/h2-10H,1H3,(H,29,30)(H,24,25,26)