[[4-(2-aminocarbonyl-3-azanyl-4-propyl-thieno[2,3-b]pyridin-6-yl)piperazin-1-yl]carbonylamino]carbamic acid

Systemtic Name: [[4-(2-aminocarbonyl-3-azanyl-4-propyl-thieno[2,3-b]pyridin-6-yl)piperazin-1-yl]carbonylamino]carbamic acid Openeye Name: [[4-(3-amino-2-carbamoyl-4-propyl-thieno[2,3-b]pyridin-6-yl)piperazine-1-carbonyl]amino]carbamic acid CAS Name: [[[4-(3-amino-2-carbamoyl-4-propyl-6-thieno[2,3-b]pyridinyl)-1-piperazinyl]-oxomethyl]amino]carbamic acid IUPAC Name: [[4-(3-amino-2-carbamoyl-4-propylthieno[2,3-b]pyridin-6-yl)piperazine-1-carbonyl]amino]carbamic acid Traditional Name: [[4-(3-amino-2-carbamoyl-4-propyl-thieno[2,3-b]pyridin-6-yl)piperazine-1-carbonyl]amino]carbamic acid Formula: C17H23N7O4S MolecularWeight: 421.47402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N7O4S/c1-2-3-9-8-10(20-15-11(9)12(18)13(29-15)14(19)25)23-4-6-24(7-5-23)16(26)21-22-17(27)28/h8,22H,2-7,18H2,1H3,(H2,19,25)(H,21,26)(H,27,28)