2-[[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-ium-1-yl]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-ium-1-yl]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-ium-1-yl]methyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-piperazin-1-iumyl]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-ium-1-yl]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-[[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-ium-1-yl]methyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C20H27N6O2S+ MolecularWeight: 415.53238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=N1)C(C)N2CC[NH+](CC2)CC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3

Isomeric SMILES

CC1=NOC(=N1)[C@H](C)N2CC[NH+](CC2)CC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3

InChI

InChI=1S/C20H26N6O2S/c1-12(19-21-13(2)24-28-19)26-9-7-25(8-10-26)11-16-22-18(27)17-14-5-3-4-6-15(14)29-20(17)23-16/h12H,3-11H2,1-2H3,(H,22,23,27)/p+1/t12-/m0/s1