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

Systemtic Name: 6-ethyl-2-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-6-ethyl-2-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 6-ethyl-2-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 6-ethyl-2-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-6-ethyl-2-[(4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]thieno[2,3-d]pyrimidin-4-one Formula: C21H21N4O2S2+ MolecularWeight: 425.54704

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)CC=C)SCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)C

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)CC=C)SCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)C

InChI

InChI=1S/C21H20N4O2S2/c1-4-8-24-20(27)16-10-15(5-2)29-19(16)23-21(24)28-12-14-9-18(26)25-11-13(3)6-7-17(25)22-14/h4,6-7,9-11H,1,5,8,12H2,2-3H3/p+1