5-methyl-6-[1-(phenylmethyl)pyridin-1-ium-2-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

Systemtic Name: 5-methyl-6-[1-(phenylmethyl)pyridin-1-ium-2-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one Openeye Name: 6-(1-benzylpyridin-1-ium-2-yl)-5-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one CAS Name: 5-methyl-6-[1-(phenylmethyl)-2-pyridin-1-iumyl]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one IUPAC Name: 6-(1-benzylpyridin-1-ium-2-yl)-5-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one Traditional Name: 6-(1-benzylpyridin-1-ium-2-yl)-5-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one Formula: C19H17N4O+ MolecularWeight: 317.36448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C(=O)N=CN2)C3=CC=CC=[N+]3CC4=CC=CC=C4

Isomeric SMILES

CC1=C(NC2=C1C(=O)N=CN2)C3=CC=CC=[N+]3CC4=CC=CC=C4

InChI

InChI=1S/C19H16N4O/c1-13-16-18(20-12-21-19(16)24)22-17(13)15-9-5-6-10-23(15)11-14-7-3-2-4-8-14/h2-10,12H,11H2,1H3,(H,20,21,22,24)/p+1