4-(2-aminocarbonyl-3-azanyl-4-propyl-thieno[2,3-b]pyridin-6-yl)piperazine-2-carboxylic acid

Systemtic Name: 4-(2-aminocarbonyl-3-azanyl-4-propyl-thieno[2,3-b]pyridin-6-yl)piperazine-2-carboxylic acid Openeye Name: 4-(3-amino-2-carbamoyl-4-propyl-thieno[2,3-b]pyridin-6-yl)piperazine-2-carboxylic acid CAS Name: 4-(3-amino-2-carbamoyl-4-propyl-6-thieno[2,3-b]pyridinyl)-2-piperazinecarboxylic acid IUPAC Name: 4-(3-amino-2-carbamoyl-4-propylthieno[2,3-b]pyridin-6-yl)piperazine-2-carboxylic acid Traditional Name: 4-(3-amino-2-carbamoyl-4-propyl-thieno[2,3-b]pyridin-6-yl)piperazine-2-carboxylic acid Formula: C16H21N5O3S MolecularWeight: 363.43464

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)N)N)N3CCNC(C3)C(=O)O

Isomeric SMILES

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)N)N)N3CCNC(C3)C(=O)O

InChI

InChI=1S/C16H21N5O3S/c1-2-3-8-6-10(21-5-4-19-9(7-21)16(23)24)20-15-11(8)12(17)13(25-15)14(18)22/h6,9,19H,2-5,7,17H2,1H3,(H2,18,22)(H,23,24)