5-cyclopropyl-2-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-cyclopropyl-2-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-cyclopropyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-cyclopropyl-2-[[2-oxo-2-(1H-pyrrol-2-yl)ethyl]thio]-3-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-cyclopropyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 5-cyclopropyl-2-[[2-keto-2-(1H-pyrrol-2-yl)ethyl]thio]-3-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H17N3O2S2 MolecularWeight: 407.50858

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)C4=CC=CN4)C5=CC=CC=C5

Isomeric SMILES

C1CC1C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)C4=CC=CN4)C5=CC=CC=C5

InChI

InChI=1S/C21H17N3O2S2/c25-17(16-7-4-10-22-16)12-28-21-23-19-18(15(11-27-19)13-8-9-13)20(26)24(21)14-5-2-1-3-6-14/h1-7,10-11,13,22H,8-9,12H2