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

Systemtic Name: 2-[4-azanyl-5,6-diphenyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]ethanol Openeye Name: 2-(4-amino-7-benzyl-5,6-diphenyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl)ethanol CAS Name: 2-[4-amino-5,6-diphenyl-7-(phenylmethyl)-3-pyrrolo[2,3-d]pyrimidin-3-iumyl]ethanol IUPAC Name: 2-(4-amino-7-benzyl-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-ium-3-yl)ethanol Traditional Name: 2-(4-amino-7-benzyl-5,6-diphenyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl)ethanol Formula: C27H25N4O+ MolecularWeight: 421.5136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(C3=C2N=C[N+](=C3N)CCO)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(C3=C2N=C[N+](=C3N)CCO)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H24N4O/c28-26-24-23(21-12-6-2-7-13-21)25(22-14-8-3-9-15-22)31(18-20-10-4-1-5-11-20)27(24)29-19-30(26)16-17-32/h1-15,19,28,32H,16-18H2/p+1