8-[[bis(phenylmethyl)amino]methyl]-3-methyl-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione

Systemtic Name: 8-[[bis(phenylmethyl)amino]methyl]-3-methyl-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione Openeye Name: 7-[(E)-cinnamyl]-8-[(dibenzylamino)methyl]-3-methyl-purine-2,6-dione CAS Name: 8-[[bis(phenylmethyl)amino]methyl]-3-methyl-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione IUPAC Name: 8-[(dibenzylamino)methyl]-3-methyl-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione Traditional Name: 7-[(E)-cinnamyl]-8-[(dibenzylamino)methyl]-3-methyl-xanthine Formula: C30H29N5O2 MolecularWeight: 491.58356

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)CN(CC3=CC=CC=C3)CC4=CC=CC=C4)CC=CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)CN(CC3=CC=CC=C3)CC4=CC=CC=C4)C/C=C/C5=CC=CC=C5

InChI

InChI=1S/C30H29N5O2/c1-33-28-27(29(36)32-30(33)37)35(19-11-18-23-12-5-2-6-13-23)26(31-28)22-34(20-24-14-7-3-8-15-24)21-25-16-9-4-10-17-25/h2-18H,19-22H2,1H3,(H,32,36,37)/b18-11+