2-[(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-6-ethyl-3-propyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-6-ethyl-3-propyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-6-ethyl-3-propyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-6-ethyl-3-propyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-6-ethyl-3-propylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-6-ethyl-3-propyl-thieno[2,3-d]pyrimidin-4-one Formula: C20H20BrN4O2S2+ MolecularWeight: 492.4324

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C1SCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br)SC(=C2)CC

Isomeric SMILES

CCCN1C(=O)C2=C(N=C1SCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br)SC(=C2)CC

InChI

InChI=1S/C20H19BrN4O2S2/c1-3-7-24-19(27)15-9-14(4-2)29-18(15)23-20(24)28-11-13-8-17(26)25-10-12(21)5-6-16(25)22-13/h5-6,8-10H,3-4,7,11H2,1-2H3/p+1