5-(2-azanylpyrimidin-4-yl)-2-(5-methylthiophen-2-yl)-1H-pyrrole-3-carboxylic acid

Systemtic Name: 5-(2-azanylpyrimidin-4-yl)-2-(5-methylthiophen-2-yl)-1H-pyrrole-3-carboxylic acid Openeye Name: 5-(2-aminopyrimidin-4-yl)-2-(5-methyl-2-thienyl)-1H-pyrrole-3-carboxylic acid CAS Name: 5-(2-amino-4-pyrimidinyl)-2-(5-methyl-2-thiophenyl)-1H-pyrrole-3-carboxylic acid IUPAC Name: 5-(2-aminopyrimidin-4-yl)-2-(5-methylthiophen-2-yl)-1H-pyrrole-3-carboxylic acid Traditional Name: 5-(2-aminopyrimidin-4-yl)-2-(5-methyl-2-thienyl)-1H-pyrrole-3-carboxylic acid Formula: C14H12N4O2S MolecularWeight: 300.33568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=C(C=C(N2)C3=NC(=NC=C3)N)C(=O)O

Isomeric SMILES

CC1=CC=C(S1)C2=C(C=C(N2)C3=NC(=NC=C3)N)C(=O)O

InChI

InChI=1S/C14H12N4O2S/c1-7-2-3-11(21-7)12-8(13(19)20)6-10(17-12)9-4-5-16-14(15)18-9/h2-6,17H,1H3,(H,19,20)(H2,15,16,18)