3-azanyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-b]pyridine-2-carboxylic acid

Systemtic Name: 3-azanyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-4-(4-phenylpiperazin-1-yl)thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-4-(4-phenyl-1-piperazinyl)-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-4-(4-phenylpiperazin-1-yl)thieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-4-(4-phenylpiperazino)thieno[2,3-b]pyridine-2-carboxylic acid Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C4C(=C(SC4=NC=C3)C(=O)O)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C4C(=C(SC4=NC=C3)C(=O)O)N

InChI

InChI=1S/C18H18N4O2S/c19-15-14-13(6-7-20-17(14)25-16(15)18(23)24)22-10-8-21(9-11-22)12-4-2-1-3-5-12/h1-7H,8-11,19H2,(H,23,24)