6-ethyl-2-[(9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-3-phenethyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-ethyl-2-[(9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-3-phenethyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-ethyl-2-[(9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-3-phenethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-ethyl-2-[(9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-3-phenethyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 6-ethyl-2-[(9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-3-phenethylthieno[2,3-d]pyrimidin-4-one Traditional Name: 6-ethyl-2-[(4-keto-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-3-phenethyl-thieno[2,3-d]pyrimidin-4-one Formula: C26H25N4O2S2+ MolecularWeight: 489.6323

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)CCC3=CC=CC=C3)SCC4=CC(=O)[N+]5=CC=CC(=C5N4)C

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)CCC3=CC=CC=C3)SCC4=CC(=O)[N+]5=CC=CC(=C5N4)C

InChI

InChI=1S/C26H24N4O2S2/c1-3-20-15-21-24(34-20)28-26(30(25(21)32)13-11-18-9-5-4-6-10-18)33-16-19-14-22(31)29-12-7-8-17(2)23(29)27-19/h4-10,12,14-15H,3,11,13,16H2,1-2H3/p+1