5-[[2-(2-azanylpyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]amino]pyridine-3-carboxylic acid

Systemtic Name: 5-[[2-(2-azanylpyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]amino]pyridine-3-carboxylic acid Openeye Name: 5-[[2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]amino]pyridine-3-carboxylic acid CAS Name: 5-[[2-(2-amino-4-pyrimidinyl)-3-methyl-1-benzothiophen-5-yl]amino]-3-pyridinecarboxylic acid IUPAC Name: 5-[[2-(2-aminopyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]amino]pyridine-3-carboxylic acid Traditional Name: 5-[[2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]amino]nicotinic acid Formula: C19H15N5O2S MolecularWeight: 377.4197

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)NC3=CN=CC(=C3)C(=O)O)C4=NC(=NC=C4)N

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)NC3=CN=CC(=C3)C(=O)O)C4=NC(=NC=C4)N

InChI

InChI=1S/C19H15N5O2S/c1-10-14-7-12(23-13-6-11(18(25)26)8-21-9-13)2-3-16(14)27-17(10)15-4-5-22-19(20)24-15/h2-9,23H,1H3,(H,25,26)(H2,20,22,24)