2-(2-azanylpyrimidin-5-yl)-4-(2-hydroxyethyl)-3-methyl-2H-1,3-benzoxazole-7-carboxylic acid

Systemtic Name: 2-(2-azanylpyrimidin-5-yl)-4-(2-hydroxyethyl)-3-methyl-2H-1,3-benzoxazole-7-carboxylic acid Openeye Name: 2-(2-aminopyrimidin-5-yl)-4-(2-hydroxyethyl)-3-methyl-2H-1,3-benzoxazole-7-carboxylic acid CAS Name: 2-(2-amino-5-pyrimidinyl)-4-(2-hydroxyethyl)-3-methyl-2H-1,3-benzoxazole-7-carboxylic acid IUPAC Name: 2-(2-aminopyrimidin-5-yl)-4-(2-hydroxyethyl)-3-methyl-2H-1,3-benzoxazole-7-carboxylic acid Traditional Name: 2-(2-aminopyrimidin-5-yl)-4-(2-hydroxyethyl)-3-methyl-2H-1,3-benzoxazole-7-carboxylic acid Formula: C15H16N4O4 MolecularWeight: 316.31194

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(OC2=C(C=CC(=C21)CCO)C(=O)O)C3=CN=C(N=C3)N

Isomeric SMILES

CN1C(OC2=C(C=CC(=C21)CCO)C(=O)O)C3=CN=C(N=C3)N

InChI

InChI=1S/C15H16N4O4/c1-19-11-8(4-5-20)2-3-10(14(21)22)12(11)23-13(19)9-6-17-15(16)18-7-9/h2-3,6-7,13,20H,4-5H2,1H3,(H,21,22)(H2,16,17,18)