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

Systemtic Name: ethyl 4-[2-aminocarbonyl-3-azanyl-6-(4-azanylpiperidin-1-yl)thieno[2,3-b]pyridin-4-yl]benzoate Openeye Name: ethyl 4-[3-amino-6-(4-amino-1-piperidyl)-2-carbamoyl-thieno[2,3-b]pyridin-4-yl]benzoate CAS Name: 4-[3-amino-6-(4-amino-1-piperidinyl)-2-carbamoyl-4-thieno[2,3-b]pyridinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-amino-6-(4-aminopiperidin-1-yl)-2-carbamoylthieno[2,3-b]pyridin-4-yl]benzoate Traditional Name: 4-[3-amino-6-(4-aminopiperidino)-2-carbamoyl-thieno[2,3-b]pyridin-4-yl]benzoic acid ethyl ester Formula: C22H25N5O3S MolecularWeight: 439.5306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O3S/c1-2-30-22(29)13-5-3-12(4-6-13)15-11-16(27-9-7-14(23)8-10-27)26-21-17(15)18(24)19(31-21)20(25)28/h3-6,11,14H,2,7-10,23-24H2,1H3,(H2,25,28)