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

Systemtic Name: 2-[4-azanyl-5,6-dimethyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]ethanol Openeye Name: 2-(4-amino-7-benzyl-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl)ethanol CAS Name: 2-[4-amino-5,6-dimethyl-7-(phenylmethyl)-3-pyrrolo[2,3-d]pyrimidin-3-iumyl]ethanol IUPAC Name: 2-(4-amino-7-benzyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-3-ium-3-yl)ethanol Traditional Name: 2-(4-amino-7-benzyl-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl)ethanol Formula: C17H21N4O+ MolecularWeight: 297.37484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O/c1-12-13(2)21(10-14-6-4-3-5-7-14)17-15(12)16(18)20(8-9-22)11-19-17/h3-7,11,18,22H,8-10H2,1-2H3/p+1