3-[3-(2-methyl-1H-imidazol-3-ium-3-yl)propyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[3-(2-methyl-1H-imidazol-3-ium-3-yl)propyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[3-(2-methyl-1H-imidazol-3-ium-3-yl)propyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[3-(2-methyl-1H-imidazol-3-ium-3-yl)propyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[3-(2-methyl-1H-imidazol-3-ium-3-yl)propyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[3-(2-methyl-1H-imidazol-3-ium-3-yl)propyl]thieno[2,3-d]pyrimidin-4-one Formula: C13H15N4OS+ MolecularWeight: 275.3494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1)CCCN2C=NC3=C(C2=O)C=CS3

Isomeric SMILES

CC1=[N+](C=CN1)CCCN2C=NC3=C(C2=O)C=CS3

InChI

InChI=1S/C13H14N4OS/c1-10-14-4-7-16(10)5-2-6-17-9-15-12-11(13(17)18)3-8-19-12/h3-4,7-9H,2,5-6H2,1H3/p+1