3-butyl-5,6-diphenyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-4-imine

Systemtic Name: 3-butyl-5,6-diphenyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-4-imine Openeye Name: 7-benzyl-3-butyl-5,6-diphenyl-pyrrolo[2,3-d]pyrimidin-4-imine CAS Name: 3-butyl-5,6-diphenyl-7-(phenylmethyl)-4-pyrrolo[2,3-d]pyrimidinimine IUPAC Name: 7-benzyl-3-butyl-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine Traditional Name: (7-benzyl-3-butyl-5,6-diphenyl-pyrrolo[2,3-d]pyrimidin-4-ylidene)amine Formula: C29H28N4 MolecularWeight: 432.55942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C(C1=N)C(=C(N2CC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCCN1C=NC2=C(C1=N)C(=C(N2CC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H28N4/c1-2-3-19-32-21-31-29-26(28(32)30)25(23-15-9-5-10-16-23)27(24-17-11-6-12-18-24)33(29)20-22-13-7-4-8-14-22/h4-18,21,30H,2-3,19-20H2,1H3