tert-butyl 4-(2-aminocarbonyl-3-azanyl-4-propyl-thieno[2,3-b]pyridin-6-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(2-aminocarbonyl-3-azanyl-4-propyl-thieno[2,3-b]pyridin-6-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(3-amino-2-carbamoyl-4-propyl-thieno[2,3-b]pyridin-6-yl)piperazine-1-carboxylate CAS Name: 4-(3-amino-2-carbamoyl-4-propyl-6-thieno[2,3-b]pyridinyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-amino-2-carbamoyl-4-propylthieno[2,3-b]pyridin-6-yl)piperazine-1-carboxylate Traditional Name: 4-(3-amino-2-carbamoyl-4-propyl-thieno[2,3-b]pyridin-6-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C20H29N5O3S MolecularWeight: 419.54096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O3S/c1-5-6-12-11-13(23-18-14(12)15(21)16(29-18)17(22)26)24-7-9-25(10-8-24)19(27)28-20(2,3)4/h11H,5-10,21H2,1-4H3,(H2,22,26)