5-[[3,6-bis(azanyl)-5-cyano-4-propan-2-yl-thieno[2,3-b]pyridin-2-yl]carbonylamino]-2-oxidanyl-benzoate

Systemtic Name: 5-[[3,6-bis(azanyl)-5-cyano-4-propan-2-yl-thieno[2,3-b]pyridin-2-yl]carbonylamino]-2-oxidanyl-benzoate Openeye Name: 5-[(3,6-diamino-5-cyano-4-isopropyl-thieno[2,3-b]pyridine-2-carbonyl)amino]-2-hydroxy-benzoate CAS Name: 5-[[(3,6-diamino-5-cyano-4-propan-2-yl-2-thieno[2,3-b]pyridinyl)-oxomethyl]amino]-2-hydroxybenzoate IUPAC Name: 5-[(3,6-diamino-5-cyano-4-propan-2-ylthieno[2,3-b]pyridine-2-carbonyl)amino]-2-hydroxybenzoate Traditional Name: 5-[(3,6-diamino-5-cyano-4-isopropyl-thieno[2,3-b]pyridine-2-carbonyl)amino]-2-hydroxy-benzoate Formula: C19H16N5O4S- MolecularWeight: 410.42644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NC2=C1C(=C(S2)C(=O)NC3=CC(=C(C=C3)O)C(=O)[O-])N)N)C#N

Isomeric SMILES

CC(C)C1=C(C(=NC2=C1C(=C(S2)C(=O)NC3=CC(=C(C=C3)O)C(=O)[O-])N)N)C#N

InChI

InChI=1S/C19H17N5O4S/c1-7(2)12-10(6-20)16(22)24-18-13(12)14(21)15(29-18)17(26)23-8-3-4-11(25)9(5-8)19(27)28/h3-5,7,25H,21H2,1-2H3,(H2,22,24)(H,23,26)(H,27,28)/p-1