1-[(5-ethanoyl-2-methoxy-phenyl)methyl]-7-(3-methylbutyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-[(5-ethanoyl-2-methoxy-phenyl)methyl]-7-(3-methylbutyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 1-[(5-acetyl-2-methoxy-phenyl)methyl]-3-benzyl-7-isopentyl-purine-2,6-dione CAS Name: 1-[(5-acetyl-2-methoxyphenyl)methyl]-7-(3-methylbutyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-[(5-acetyl-2-methoxyphenyl)methyl]-3-benzyl-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 1-(5-acetyl-2-methoxy-benzyl)-3-benzyl-7-isoamyl-xanthine Formula: C27H30N4O4 MolecularWeight: 474.5515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N4O4/c1-18(2)12-13-29-17-28-25-24(29)26(33)31(27(34)30(25)15-20-8-6-5-7-9-20)16-22-14-21(19(3)32)10-11-23(22)35-4/h5-11,14,17-18H,12-13,15-16H2,1-4H3