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

Systemtic Name: 6-chloranyl-2-[(E)-2-phenylethenyl]-9-(phenylmethyl)purine Openeye Name: 9-benzyl-6-chloro-2-[(E)-styryl]purine CAS Name: 6-chloro-2-[(E)-2-phenylethenyl]-9-(phenylmethyl)purine IUPAC Name: 9-benzyl-6-chloro-2-[(E)-2-phenylethenyl]purine Traditional Name: 9-benzyl-6-chloro-2-[(E)-styryl]purine Formula: C20H15ClN4 MolecularWeight: 346.8129

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3Cl)C=CC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3Cl)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C20H15ClN4/c21-19-18-20(25(14-22-18)13-16-9-5-2-6-10-16)24-17(23-19)12-11-15-7-3-1-4-8-15/h1-12,14H,13H2/b12-11+