5-[(7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 5-[(7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 5-[(7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine CAS Name: 5-[(7,8-dimethoxy-2H-1-benzopyran-5-yl)methyl]pyrimidine-2,4-diamine; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 5-[(7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: [2-amino-5-[(7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidin-4-yl]amine; citric acid Formula: C22H26N4O10 MolecularWeight: 506.46264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=CCO2)C(=C1)CC3=CN=C(N=C3N)N)OC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

COC1=C(C2=C(C=CCO2)C(=C1)CC3=CN=C(N=C3N)N)OC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C16H18N4O3.C6H8O7/c1-21-12-7-9(6-10-8-19-16(18)20-15(10)17)11-4-3-5-23-13(11)14(12)22-2;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-4,7-8H,5-6H2,1-2H3,(H4,17,18,19,20);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)