3-azanyl-6-[4-(2-azanyl-3-oxidanyl-propanoyl)piperazin-1-yl]-4-propyl-thieno[2,3-b]pyridine-2-carboxamide

Systemtic Name: 3-azanyl-6-[4-(2-azanyl-3-oxidanyl-propanoyl)piperazin-1-yl]-4-propyl-thieno[2,3-b]pyridine-2-carboxamide Openeye Name: 3-amino-6-[4-(2-amino-3-hydroxy-propanoyl)piperazin-1-yl]-4-propyl-thieno[2,3-b]pyridine-2-carboxamide CAS Name: 3-amino-6-[4-(2-amino-3-hydroxy-1-oxopropyl)-1-piperazinyl]-4-propyl-2-thieno[2,3-b]pyridinecarboxamide IUPAC Name: 3-amino-6-[4-(2-amino-3-hydroxypropanoyl)piperazin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide Traditional Name: 3-amino-6-[4-(2-amino-3-hydroxy-propanoyl)piperazino]-4-propyl-thieno[2,3-b]pyridine-2-carboxamide Formula: C18H26N6O3S MolecularWeight: 406.50244

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)N)N)N3CCN(CC3)C(=O)C(CO)N

Isomeric SMILES

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)N)N)N3CCN(CC3)C(=O)C(CO)N

InChI

InChI=1S/C18H26N6O3S/c1-2-3-10-8-12(22-17-13(10)14(20)15(28-17)16(21)26)23-4-6-24(7-5-23)18(27)11(19)9-25/h8,11,25H,2-7,9,19-20H2,1H3,(H2,21,26)