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

Systemtic Name: 5-(2-azanylpyrimidin-4-yl)-2-(1-benzothiophen-5-yl)-1H-pyrrole-3-carboxylic acid Openeye Name: 5-(2-aminopyrimidin-4-yl)-2-(benzothiophen-5-yl)-1H-pyrrole-3-carboxylic acid CAS Name: 5-(2-amino-4-pyrimidinyl)-2-(1-benzothiophen-5-yl)-1H-pyrrole-3-carboxylic acid IUPAC Name: 5-(2-aminopyrimidin-4-yl)-2-(1-benzothiophen-5-yl)-1H-pyrrole-3-carboxylic acid Traditional Name: 5-(2-aminopyrimidin-4-yl)-2-(benzothiophen-5-yl)-1H-pyrrole-3-carboxylic acid Formula: C17H12N4O2S MolecularWeight: 336.36778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CS2)C=C1C3=C(C=C(N3)C4=NC(=NC=C4)N)C(=O)O

Isomeric SMILES

C1=CC2=C(C=CS2)C=C1C3=C(C=C(N3)C4=NC(=NC=C4)N)C(=O)O

InChI

InChI=1S/C17H12N4O2S/c18-17-19-5-3-12(21-17)13-8-11(16(22)23)15(20-13)10-1-2-14-9(7-10)4-6-24-14/h1-8,20H,(H,22,23)(H2,18,19,21)