8-[[(4-methoxyphenyl)methyl-methyl-amino]methyl]-7-(3-methylbutyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-[[(4-methoxyphenyl)methyl-methyl-amino]methyl]-7-(3-methylbutyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-isopentyl-8-[[(4-methoxyphenyl)methyl-methyl-amino]methyl]purine-2,6-dione CAS Name: 8-[[(4-methoxyphenyl)methyl-methylamino]methyl]-7-(3-methylbutyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-8-[[(4-methoxyphenyl)methyl-methylamino]methyl]-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 3-benzyl-7-isoamyl-8-[[methyl(p-anisyl)amino]methyl]xanthine Formula: C27H33N5O3 MolecularWeight: 475.58262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)CN(C)CC4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)CCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)CN(C)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C27H33N5O3/c1-19(2)14-15-31-23(18-30(3)16-21-10-12-22(35-4)13-11-21)28-25-24(31)26(33)29-27(34)32(25)17-20-8-6-5-7-9-20/h5-13,19H,14-18H2,1-4H3,(H,29,33,34)