3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-(4-nitrophenyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-(4-nitrophenyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-(4-nitrophenyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-(4-nitrophenyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-(4-nitrophenyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-(4-nitrophenyl)thieno[2,3-d]pyrimidin-4-one Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4S/c25-17(22-9-3-1-2-4-10-22)11-23-13-21-19-18(20(23)26)16(12-29-19)14-5-7-15(8-6-14)24(27)28/h5-8,12-13H,1-4,9-11H2