N-(3-imidazol-1-ylpropyl)-5,6-diphenyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: N-(3-imidazol-1-ylpropyl)-5,6-diphenyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 7-benzyl-N-(3-imidazol-1-ylpropyl)-5,6-diphenyl-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: N-[3-(1-imidazolyl)propyl]-5,6-diphenyl-7-(phenylmethyl)-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 7-benzyl-N-(3-imidazol-1-ylpropyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: (7-benzyl-5,6-diphenyl-pyrrolo[2,3-d]pyrimidin-4-yl)-(3-imidazol-1-ylpropyl)amine Formula: C31H28N6 MolecularWeight: 484.59422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(C3=C2N=CN=C3NCCCN4C=CN=C4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(C3=C2N=CN=C3NCCCN4C=CN=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C31H28N6/c1-4-11-24(12-5-1)21-37-29(26-15-8-3-9-16-26)27(25-13-6-2-7-14-25)28-30(34-22-35-31(28)37)33-17-10-19-36-20-18-32-23-36/h1-9,11-16,18,20,22-23H,10,17,19,21H2,(H,33,34,35)