4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid; 5-(4-chlorophenyl)-6-ethyl-pyrimidine-2,4-diamine

Systemtic Name: 4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid; 5-(4-chlorophenyl)-6-ethyl-pyrimidine-2,4-diamine Openeye Name: 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-naphthalene-2-carboxylic acid; 5-(4-chlorophenyl)-6-ethyl-pyrimidine-2,4-diamine CAS Name: 4-[(3-carboxy-2-hydroxy-1-naphthalenyl)methyl]-3-hydroxy-2-naphthalenecarboxylic acid; 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine IUPAC Name: 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid; 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine Traditional Name: [2-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-4-yl]amine; 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-2-naphthoic acid Formula: C47H42Cl2N8O6 MolecularWeight: 885.79238

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl.CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl.CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O

InChI

InChI=1S/C23H16O6.2C12H13ClN4/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;2*1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2*3-6H,2H2,1H3,(H4,14,15,16,17)