3-oxidanylnaphthalene-2-carboxylic acid; 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine

Systemtic Name: 3-oxidanylnaphthalene-2-carboxylic acid; 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine Openeye Name: 3-hydroxynaphthalene-2-carboxylic acid; 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine CAS Name: 3-hydroxy-2-naphthalenecarboxylic acid; 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine IUPAC Name: 3-hydroxynaphthalene-2-carboxylic acid; 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-(3,4,5-trimethoxybenzyl)pyrimidin-4-yl]amine; 3-hydroxy-2-naphthoic acid Formula: C25H26N4O6 MolecularWeight: 478.49714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N.C1=CC=C2C=C(C(=CC2=C1)C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N.C1=CC=C2C=C(C(=CC2=C1)C(=O)O)O

InChI

InChI=1S/C14H18N4O3.C11H8O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15;12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h5-7H,4H2,1-3H3,(H4,15,16,17,18);1-6,12H,(H,13,14)