N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-butyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-butyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide Openeye Name: N-butyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-acetamide CAS Name: N-butyl-N-[(3S)-1,1-dioxo-3-thiolanyl]-2-(4-thieno[2,3-d]pyrimidinylthio)acetamide IUPAC Name: N-butyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide Traditional Name: N-butyl-N-[(3S)-1,1-diketothiolan-3-yl]-2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamide Formula: C16H21N3O3S3 MolecularWeight: 399.55124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC=NC3=C2C=CS3

Isomeric SMILES

CCCCN([C@H]1CCS(=O)(=O)C1)C(=O)CSC2=NC=NC3=C2C=CS3

InChI

InChI=1S/C16H21N3O3S3/c1-2-3-6-19(12-5-8-25(21,22)10-12)14(20)9-24-16-13-4-7-23-15(13)17-11-18-16/h4,7,11-12H,2-3,5-6,8-10H2,1H3/t12-/m0/s1