2-[4-azanyl-5,6-dimethyl-7-(4-methylpyridin-2-yl)pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]ethanol

Systemtic Name: 2-[4-azanyl-5,6-dimethyl-7-(4-methylpyridin-2-yl)pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]ethanol Openeye Name: 2-[4-amino-5,6-dimethyl-7-(4-methyl-2-pyridyl)pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]ethanol CAS Name: 2-[4-amino-5,6-dimethyl-7-(4-methyl-2-pyridinyl)-3-pyrrolo[2,3-d]pyrimidin-3-iumyl]ethanol IUPAC Name: 2-[4-amino-5,6-dimethyl-7-(4-methylpyridin-2-yl)pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]ethanol Traditional Name: 2-[4-amino-5,6-dimethyl-7-(4-methyl-2-pyridyl)pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]ethanol Formula: C16H20N5O+ MolecularWeight: 298.3629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)N2C(=C(C3=C2N=C[N+](=C3N)CCO)C)C

Isomeric SMILES

CC1=CC(=NC=C1)N2C(=C(C3=C2N=C[N+](=C3N)CCO)C)C

InChI

InChI=1S/C16H19N5O/c1-10-4-5-18-13(8-10)21-12(3)11(2)14-15(17)20(6-7-22)9-19-16(14)21/h4-5,8-9,17,22H,6-7H2,1-3H3/p+1