3-azanyl-6-[4-(N'-methylcarbamimidoyl)piperazin-1-yl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid

Systemtic Name: 3-azanyl-6-[4-(N'-methylcarbamimidoyl)piperazin-1-yl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-6-[4-(N'-methylcarbamimidoyl)piperazin-1-yl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-6-[4-[amino(methylimino)methyl]-1-piperazinyl]-4-propyl-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-6-[4-(N'-methylcarbamimidoyl)piperazin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-6-[4-(N'-methylamidino)piperazino]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C17H24N6O2S MolecularWeight: 376.47646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N6O2S/c1-3-4-10-9-11(22-5-7-23(8-6-22)17(19)20-2)21-15-12(10)13(18)14(26-15)16(24)25/h9H,3-8,18H2,1-2H3,(H2,19,20)(H,24,25)