[7-methyl-2-methylsulfonyl-4-(pyridin-1-ium-1-ylamino)pyrrolo[2,3-d]pyrimidin-5-yl]methanol

Systemtic Name: [7-methyl-2-methylsulfonyl-4-(pyridin-1-ium-1-ylamino)pyrrolo[2,3-d]pyrimidin-5-yl]methanol Openeye Name: [7-methyl-2-methylsulfonyl-4-(pyridin-1-ium-1-ylamino)pyrrolo[2,3-d]pyrimidin-5-yl]methanol CAS Name: [7-methyl-2-methylsulfonyl-4-(1-pyridin-1-iumylamino)-5-pyrrolo[2,3-d]pyrimidinyl]methanol IUPAC Name: [7-methyl-2-methylsulfonyl-4-(pyridin-1-ium-1-ylamino)pyrrolo[2,3-d]pyrimidin-5-yl]methanol Traditional Name: [2-mesyl-7-methyl-4-(pyridin-1-ium-1-ylamino)pyrrolo[2,3-d]pyrimidin-5-yl]methanol Formula: C14H16N5O3S+ MolecularWeight: 334.37354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1N=C(N=C2N[N+]3=CC=CC=C3)S(=O)(=O)C)CO

Isomeric SMILES

CN1C=C(C2=C1N=C(N=C2N[N+]3=CC=CC=C3)S(=O)(=O)C)CO

InChI

InChI=1S/C14H16N5O3S/c1-18-8-10(9-20)11-12(17-19-6-4-3-5-7-19)15-14(16-13(11)18)23(2,21)22/h3-8,20H,9H2,1-2H3,(H,15,16,17)/q+1