3-thieno[2,3-d]pyrimidin-4-ylsulfanylazepan-2-one

Systemtic Name: 3-thieno[2,3-d]pyrimidin-4-ylsulfanylazepan-2-one Openeye Name: 3-thieno[2,3-d]pyrimidin-4-ylsulfanylazepan-2-one CAS Name: 3-(4-thieno[2,3-d]pyrimidinylthio)-2-azepanone IUPAC Name: 3-thieno[2,3-d]pyrimidin-4-ylsulfanylazepan-2-one Traditional Name: 3-(thieno[2,3-d]pyrimidin-4-ylthio)azepan-2-one Formula: C12H13N3OS2 MolecularWeight: 279.38112

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=NC=NC3=C2C=CS3

Isomeric SMILES

C1CCNC(=O)C(C1)SC2=NC=NC3=C2C=CS3

InChI

InChI=1S/C12H13N3OS2/c16-10-9(3-1-2-5-13-10)18-12-8-4-6-17-11(8)14-7-15-12/h4,6-7,9H,1-3,5H2,(H,13,16)