8-[[bis(phenylmethyl)amino]methyl]-1,3-dimethyl-7-phenacyl-purine-2,6-dione

Systemtic Name: 8-[[bis(phenylmethyl)amino]methyl]-1,3-dimethyl-7-phenacyl-purine-2,6-dione Openeye Name: 8-[(dibenzylamino)methyl]-1,3-dimethyl-7-phenacyl-purine-2,6-dione CAS Name: 8-[[bis(phenylmethyl)amino]methyl]-1,3-dimethyl-7-phenacylpurine-2,6-dione IUPAC Name: 8-[(dibenzylamino)methyl]-1,3-dimethyl-7-phenacylpurine-2,6-dione Traditional Name: 8-[(dibenzylamino)methyl]-1,3-dimethyl-7-phenacyl-xanthine Formula: C30H29N5O3 MolecularWeight: 507.58296

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN(CC3=CC=CC=C3)CC4=CC=CC=C4)CC(=O)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN(CC3=CC=CC=C3)CC4=CC=CC=C4)CC(=O)C5=CC=CC=C5

InChI

InChI=1S/C30H29N5O3/c1-32-28-27(29(37)33(2)30(32)38)35(20-25(36)24-16-10-5-11-17-24)26(31-28)21-34(18-22-12-6-3-7-13-22)19-23-14-8-4-9-15-23/h3-17H,18-21H2,1-2H3