2-[(7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(3-piperidin-1-ium-1-ylpropyl)thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[(7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(3-piperidin-1-ium-1-ylpropyl)thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[(7-chloro-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(3-piperidin-1-ium-1-ylpropyl)thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[(7-chloro-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-[3-(1-piperidin-1-iumyl)propyl]-4-thieno[3,2-d]pyrimidinone IUPAC Name: 2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(3-piperidin-1-ium-1-ylpropyl)thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[(7-chloro-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methylthio]-3-(3-piperidin-1-ium-1-ylpropyl)thieno[3,2-d]pyrimidin-4-one Formula: C23H25ClN5O2S2+ MolecularWeight: 503.0599

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCN2C(=O)C3=C(C=CS3)N=C2SCC4=CC(=O)N5C=C(C=CC5=N4)Cl

Isomeric SMILES

C1CC[NH+](CC1)CCCN2C(=O)C3=C(C=CS3)N=C2SCC4=CC(=O)N5C=C(C=CC5=N4)Cl

InChI

InChI=1S/C23H24ClN5O2S2/c24-16-5-6-19-25-17(13-20(30)29(19)14-16)15-33-23-26-18-7-12-32-21(18)22(31)28(23)11-4-10-27-8-2-1-3-9-27/h5-7,12-14H,1-4,8-11,15H2/p+1