1-[6-[(E)-2-phenylethenyl]-9-(phenylmethyl)purin-2-yl]ethanone

Systemtic Name: 1-[6-[(E)-2-phenylethenyl]-9-(phenylmethyl)purin-2-yl]ethanone Openeye Name: 1-[9-benzyl-6-[(E)-styryl]purin-2-yl]ethanone CAS Name: 1-[6-[(E)-2-phenylethenyl]-9-(phenylmethyl)-2-purinyl]ethanone IUPAC Name: 1-[9-benzyl-6-[(E)-2-phenylethenyl]purin-2-yl]ethanone Traditional Name: 1-[9-benzyl-6-[(E)-styryl]purin-2-yl]ethanone Formula: C22H18N4O MolecularWeight: 354.40452

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NC(=C2C(=N1)N(C=N2)CC3=CC=CC=C3)C=CC4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=NC(=C2C(=N1)N(C=N2)CC3=CC=CC=C3)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C22H18N4O/c1-16(27)21-24-19(13-12-17-8-4-2-5-9-17)20-22(25-21)26(15-23-20)14-18-10-6-3-7-11-18/h2-13,15H,14H2,1H3/b13-12+