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

Systemtic Name: (7S)-2-[(3-ethenylbenzimidazol-1-ium-1-yl)methyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: (7S)-7-methyl-2-[(3-vinylbenzimidazol-1-ium-1-yl)methyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: (7S)-2-[(3-ethenyl-1-benzimidazol-1-iumyl)methyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: (7S)-2-[(3-ethenylbenzimidazol-1-ium-1-yl)methyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: (7S)-7-methyl-2-[(3-vinylbenzimidazol-1-ium-1-yl)methyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C21H21N4OS+ MolecularWeight: 377.48264

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)C[N+]4=CN(C5=CC=CC=C54)C=C

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)C[N+]4=CN(C5=CC=CC=C54)C=C

InChI

InChI=1S/C21H20N4OS/c1-3-24-12-25(16-7-5-4-6-15(16)24)11-18-22-20(26)19-14-9-8-13(2)10-17(14)27-21(19)23-18/h3-7,12-13H,1,8-11H2,2H3/p+1/t13-/m0/s1