4-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-6,7-dimethoxy-3-methyl-1-benzofuran-2-carboxylic acid

Systemtic Name: 4-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-6,7-dimethoxy-3-methyl-1-benzofuran-2-carboxylic acid Openeye Name: 4-[(2,4-diaminopyrimidin-5-yl)methyl]-6,7-dimethoxy-3-methyl-benzofuran-2-carboxylic acid CAS Name: 4-[(2,4-diamino-5-pyrimidinyl)methyl]-6,7-dimethoxy-3-methyl-2-benzofurancarboxylic acid IUPAC Name: 4-[(2,4-diaminopyrimidin-5-yl)methyl]-6,7-dimethoxy-3-methyl-1-benzofuran-2-carboxylic acid Traditional Name: 4-[(2,4-diaminopyrimidin-5-yl)methyl]-6,7-dimethoxy-3-methyl-coumarilic acid Formula: C17H18N4O5 MolecularWeight: 358.34862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=CC(=C2OC)OC)CC3=CN=C(N=C3N)N)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1C(=CC(=C2OC)OC)CC3=CN=C(N=C3N)N)C(=O)O

InChI

InChI=1S/C17H18N4O5/c1-7-11-8(4-9-6-20-17(19)21-15(9)18)5-10(24-2)13(25-3)14(11)26-12(7)16(22)23/h5-6H,4H2,1-3H3,(H,22,23)(H4,18,19,20,21)