methyl 3-[2-aminocarbonyl-3-azanyl-6-(4-azanylpiperidin-1-yl)thieno[2,3-b]pyridin-4-yl]benzoate

Systemtic Name: methyl 3-[2-aminocarbonyl-3-azanyl-6-(4-azanylpiperidin-1-yl)thieno[2,3-b]pyridin-4-yl]benzoate Openeye Name: methyl 3-[3-amino-6-(4-amino-1-piperidyl)-2-carbamoyl-thieno[2,3-b]pyridin-4-yl]benzoate CAS Name: 3-[3-amino-6-(4-amino-1-piperidinyl)-2-carbamoyl-4-thieno[2,3-b]pyridinyl]benzoic acid methyl ester IUPAC Name: methyl 3-[3-amino-6-(4-aminopiperidin-1-yl)-2-carbamoylthieno[2,3-b]pyridin-4-yl]benzoate Traditional Name: 3-[3-amino-6-(4-aminopiperidino)-2-carbamoyl-thieno[2,3-b]pyridin-4-yl]benzoic acid methyl ester Formula: C21H23N5O3S MolecularWeight: 425.50402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C2=CC(=NC3=C2C(=C(S3)C(=O)N)N)N4CCC(CC4)N

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C2=CC(=NC3=C2C(=C(S3)C(=O)N)N)N4CCC(CC4)N

InChI

InChI=1S/C21H23N5O3S/c1-29-21(28)12-4-2-3-11(9-12)14-10-15(26-7-5-13(22)6-8-26)25-20-16(14)17(23)18(30-20)19(24)27/h2-4,9-10,13H,5-8,22-23H2,1H3,(H2,24,27)