3-[4-azanyl-5,6-diphenyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]propan-1-ol

Systemtic Name: 3-[4-azanyl-5,6-diphenyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]propan-1-ol Openeye Name: 3-(4-amino-7-benzyl-5,6-diphenyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl)propan-1-ol CAS Name: 3-[4-amino-5,6-diphenyl-7-(phenylmethyl)-3-pyrrolo[2,3-d]pyrimidin-3-iumyl]-1-propanol IUPAC Name: 3-(4-amino-7-benzyl-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-ium-3-yl)propan-1-ol Traditional Name: 3-(4-amino-7-benzyl-5,6-diphenyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl)propan-1-ol Formula: C28H27N4O+ MolecularWeight: 435.54018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26N4O/c29-27-25-24(22-13-6-2-7-14-22)26(23-15-8-3-9-16-23)32(19-21-11-4-1-5-12-21)28(25)30-20-31(27)17-10-18-33/h1-9,11-16,20,29,33H,10,17-19H2/p+1