3-ethyl-2-(2-oxidanylideneazepan-3-yl)sulfanyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-ethyl-2-(2-oxidanylideneazepan-3-yl)sulfanyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-ethyl-2-(2-oxoazepan-3-yl)sulfanyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-ethyl-2-[(2-oxo-3-azepanyl)thio]-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-ethyl-2-(2-oxoazepan-3-yl)sulfanyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-ethyl-2-[(2-ketoazepan-3-yl)thio]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one Formula: C18H19N3O2S3 MolecularWeight: 405.55736

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SC3CCCCNC3=O)SC=C2C4=CC=CS4

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SC3CCCCNC3=O)SC=C2C4=CC=CS4

InChI

InChI=1S/C18H19N3O2S3/c1-2-21-17(23)14-11(12-7-5-9-24-12)10-25-16(14)20-18(21)26-13-6-3-4-8-19-15(13)22/h5,7,9-10,13H,2-4,6,8H2,1H3,(H,19,22)