3-azanyl-6-(4-azanylpiperidin-1-yl)-4-(4-nitrophenyl)thieno[2,3-b]pyridine-2-carboxylic acid

Systemtic Name: 3-azanyl-6-(4-azanylpiperidin-1-yl)-4-(4-nitrophenyl)thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-6-(4-amino-1-piperidyl)-4-(4-nitrophenyl)thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-6-(4-amino-1-piperidinyl)-4-(4-nitrophenyl)-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-6-(4-aminopiperidin-1-yl)-4-(4-nitrophenyl)thieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-6-(4-aminopiperidino)-4-(4-nitrophenyl)thieno[2,3-b]pyridine-2-carboxylic acid Formula: C19H19N5O4S MolecularWeight: 413.45026

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N)C2=NC3=C(C(=C2)C4=CC=C(C=C4)[N+](=O)[O-])C(=C(S3)C(=O)O)N

Isomeric SMILES

C1CN(CCC1N)C2=NC3=C(C(=C2)C4=CC=C(C=C4)[N+](=O)[O-])C(=C(S3)C(=O)O)N

InChI

InChI=1S/C19H19N5O4S/c20-11-5-7-23(8-6-11)14-9-13(10-1-3-12(4-2-10)24(27)28)15-16(21)17(19(25)26)29-18(15)22-14/h1-4,9,11H,5-8,20-21H2,(H,25,26)