1,3-dimethyl-7-(phenylmethyl)-8-(4-propan-2-ylphenyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(phenylmethyl)-8-(4-propan-2-ylphenyl)purine-2,6-dione Openeye Name: 7-benzyl-8-(4-isopropylphenyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-(phenylmethyl)-8-(4-propan-2-ylphenyl)purine-2,6-dione IUPAC Name: 7-benzyl-1,3-dimethyl-8-(4-propan-2-ylphenyl)purine-2,6-dione Traditional Name: 7-benzyl-1,3-dimethyl-8-p-cumenyl-xanthine Formula: C23H24N4O2 MolecularWeight: 388.46226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C23H24N4O2/c1-15(2)17-10-12-18(13-11-17)20-24-21-19(22(28)26(4)23(29)25(21)3)27(20)14-16-8-6-5-7-9-16/h5-13,15H,14H2,1-4H3