7-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-1-(3-methylbutyl)-3-(4-methylphenyl)purine-2,6-dione

Systemtic Name: 7-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-1-(3-methylbutyl)-3-(4-methylphenyl)purine-2,6-dione Openeye Name: 1-isopentyl-7-[2-(3-methoxyphenyl)-2-oxo-ethyl]-3-(p-tolyl)purine-2,6-dione CAS Name: 7-[2-(3-methoxyphenyl)-2-oxoethyl]-1-(3-methylbutyl)-3-(4-methylphenyl)purine-2,6-dione IUPAC Name: 7-[2-(3-methoxyphenyl)-2-oxoethyl]-1-(3-methylbutyl)-3-(4-methylphenyl)purine-2,6-dione Traditional Name: 1-isoamyl-7-[2-keto-2-(3-methoxyphenyl)ethyl]-3-(p-tolyl)xanthine Formula: C26H28N4O4 MolecularWeight: 460.52492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C(=O)N(C2=O)CCC(C)C)N(C=N3)CC(=O)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C(=O)N(C2=O)CCC(C)C)N(C=N3)CC(=O)C4=CC(=CC=C4)OC

InChI

InChI=1S/C26H28N4O4/c1-17(2)12-13-29-25(32)23-24(30(26(29)33)20-10-8-18(3)9-11-20)27-16-28(23)15-22(31)19-6-5-7-21(14-19)34-4/h5-11,14,16-17H,12-13,15H2,1-4H3