2-(4-chlorophenyl)-6-[(E)-2-phenylethenyl]-9-(phenylmethyl)purine

Systemtic Name: 2-(4-chlorophenyl)-6-[(E)-2-phenylethenyl]-9-(phenylmethyl)purine Openeye Name: 9-benzyl-2-(4-chlorophenyl)-6-[(E)-styryl]purine CAS Name: 2-(4-chlorophenyl)-6-[(E)-2-phenylethenyl]-9-(phenylmethyl)purine IUPAC Name: 9-benzyl-2-(4-chlorophenyl)-6-[(E)-2-phenylethenyl]purine Traditional Name: 9-benzyl-2-(4-chlorophenyl)-6-[(E)-styryl]purine Formula: C26H19ClN4 MolecularWeight: 422.90886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C(N=C(N=C32)C4=CC=C(C=C4)Cl)C=CC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C(N=C(N=C32)C4=CC=C(C=C4)Cl)/C=C/C5=CC=CC=C5

InChI

InChI=1S/C26H19ClN4/c27-22-14-12-21(13-15-22)25-29-23(16-11-19-7-3-1-4-8-19)24-26(30-25)31(18-28-24)17-20-9-5-2-6-10-20/h1-16,18H,17H2/b16-11+