(E)-but-2-enedioic acid; 5-[(7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine

Systemtic Name: (E)-but-2-enedioic acid; 5-[(7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine Openeye Name: 5-[(7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine; fumaric acid CAS Name: (E)-2-butenedioic acid; 5-[(7,8-dimethoxy-2H-1-benzopyran-5-yl)methyl]pyrimidine-2,4-diamine IUPAC Name: (E)-but-2-enedioic acid; 5-[(7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[(7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidin-4-yl]amine; fumaric acid Formula: C20H22N4O7 MolecularWeight: 430.41128

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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(=CC(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O3.C4H4O4/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;5-3(6)1-2-4(7)8/h3-4,7-8H,5-6H2,1-2H3,(H4,17,18,19,20);1-2H,(H,5,6)(H,7,8)/b;2-1+