3-(2-methoxyethyl)-8-(5-methylfuran-2-yl)-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 3-(2-methoxyethyl)-8-(5-methylfuran-2-yl)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-3-(2-methoxyethyl)-8-(5-methyl-2-furyl)purine-2,6-dione CAS Name: 3-(2-methoxyethyl)-8-(5-methyl-2-furanyl)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-3-(2-methoxyethyl)-8-(5-methylfuran-2-yl)purine-2,6-dione Traditional Name: 7-benzyl-3-(2-methoxyethyl)-8-(5-methyl-2-furyl)xanthine Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3CCOC

Isomeric SMILES

CC1=CC=C(O1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3CCOC

InChI

InChI=1S/C20H20N4O4/c1-13-8-9-15(28-13)17-21-18-16(24(17)12-14-6-4-3-5-7-14)19(25)22-20(26)23(18)10-11-27-2/h3-9H,10-12H2,1-2H3,(H,22,25,26)