5-(7-azanyl-1,3-diazepan-5-yl)-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid

Systemtic Name: 5-(7-azanyl-1,3-diazepan-5-yl)-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 5-(7-amino-1,3-diazepan-5-yl)-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 5-(7-amino-1,3-diazepan-5-yl)-4-propyl-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 5-(7-amino-1,3-diazepan-5-yl)-4-propylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 5-(7-amino-1,3-diazepan-5-yl)-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C=C(SC2=NC=C1C3CC(NCNC3)N)C(=O)O

Isomeric SMILES

CCCC1=C2C=C(SC2=NC=C1C3CC(NCNC3)N)C(=O)O

InChI

InChI=1S/C16H22N4O2S/c1-2-3-10-11-5-13(16(21)22)23-15(11)19-7-12(10)9-4-14(17)20-8-18-6-9/h5,7,9,14,18,20H,2-4,6,8,17H2,1H3,(H,21,22)