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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=[N+](C=N2)CC3=CC=NC=C3)N)CCO)C

Isomeric SMILES

CC1=C(N(C2=C1C(=[N+](C=N2)CC3=CC=NC=C3)N)CCO)C

InChI

InChI=1S/C16H19N5O/c1-11-12(2)21(7-8-22)16-14(11)15(17)20(10-19-16)9-13-3-5-18-6-4-13/h3-6,10,17,22H,7-9H2,1-2H3/p+1