2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-phenyl-3-prop-2-enyl-4aH-thieno[2,3-d]pyrimidin-3-ium-4-one

Systemtic Name: 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-phenyl-3-prop-2-enyl-4aH-thieno[2,3-d]pyrimidin-3-ium-4-one Openeye Name: 3-allyl-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-phenyl-4aH-thieno[2,3-d]pyrimidin-3-ium-4-one CAS Name: 2-(2-imidazo[1,2-a]pyridinylmethylthio)-5-phenyl-3-prop-2-enyl-4aH-thieno[2,3-d]pyrimidin-3-ium-4-one IUPAC Name: 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-phenyl-3-prop-2-enyl-4aH-thieno[2,3-d]pyrimidin-3-ium-4-one Traditional Name: 3-allyl-2-(imidazo[1,2-a]pyridin-2-ylmethylthio)-5-phenyl-4aH-thieno[2,3-d]pyrimidin-3-ium-4-one Formula: C23H19N4OS2+ MolecularWeight: 431.55316

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=C(N=C2C(C1=O)C(=CS2)C3=CC=CC=C3)SCC4=CN5C=CC=CC5=N4

Isomeric SMILES

C=CC[N+]1=C(N=C2C(C1=O)C(=CS2)C3=CC=CC=C3)SCC4=CN5C=CC=CC5=N4

InChI

InChI=1S/C23H19N4OS2/c1-2-11-27-22(28)20-18(16-8-4-3-5-9-16)15-29-21(20)25-23(27)30-14-17-13-26-12-7-6-10-19(26)24-17/h2-10,12-13,15,20H,1,11,14H2/q+1