8-(2,3-dihydro-1H-inden-2-ylamino)-7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-(2,3-dihydro-1H-inden-2-ylamino)-7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(indan-2-ylamino)-7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(2,3-dihydro-1H-inden-2-ylamino)-7-[(4-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(2,3-dihydro-1H-inden-2-ylamino)-7-[(4-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(indan-2-ylamino)-1,3-dimethyl-7-p-anisyl-xanthine Formula: C24H25N5O3 MolecularWeight: 431.487

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CC4=CC=CC=C4C3)CC5=CC=C(C=C5)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CC4=CC=CC=C4C3)CC5=CC=C(C=C5)OC

InChI

InChI=1S/C24H25N5O3/c1-27-21-20(22(30)28(2)24(27)31)29(14-15-8-10-19(32-3)11-9-15)23(26-21)25-18-12-16-6-4-5-7-17(16)13-18/h4-11,18H,12-14H2,1-3H3,(H,25,26)