7-(2-hydroxyethyl)-8-(4-methoxyphenyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-(2-hydroxyethyl)-8-(4-methoxyphenyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-(2-hydroxyethyl)-8-(4-methoxyphenyl)purine-2,6-dione CAS Name: 7-(2-hydroxyethyl)-8-(4-methoxyphenyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(2-hydroxyethyl)-8-(4-methoxyphenyl)purine-2,6-dione Traditional Name: 3-benzyl-7-(2-hydroxyethyl)-8-(4-methoxyphenyl)xanthine Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(N2CCO)C(=O)NC(=O)N3CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(N2CCO)C(=O)NC(=O)N3CC4=CC=CC=C4

InChI

InChI=1S/C21H20N4O4/c1-29-16-9-7-15(8-10-16)18-22-19-17(24(18)11-12-26)20(27)23-21(28)25(19)13-14-5-3-2-4-6-14/h2-10,26H,11-13H2,1H3,(H,23,27,28)