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

Systemtic Name: 3-[[5,6-diphenyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-1-ol Openeye Name: 3-[(7-benzyl-5,6-diphenyl-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol CAS Name: 3-[[5,6-diphenyl-7-(phenylmethyl)-4-pyrrolo[2,3-d]pyrimidinyl]amino]-1-propanol IUPAC Name: 3-[(7-benzyl-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol Traditional Name: 3-[(7-benzyl-5,6-diphenyl-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol Formula: C28H26N4O MolecularWeight: 434.53224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(C3=C2N=CN=C3NCCCO)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(C3=C2N=CN=C3NCCCO)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H26N4O/c33-18-10-17-29-27-25-24(22-13-6-2-7-14-22)26(23-15-8-3-9-16-23)32(28(25)31-20-30-27)19-21-11-4-1-5-12-21/h1-9,11-16,20,33H,10,17-19H2,(H,29,30,31)