7-ethyl-8-(4-methoxy-3-oxidanyl-phenyl)-3-(phenylmethyl)purine-2,6-dione

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1C3=CC(=C(C=C3)OC)O)N(C(=O)NC2=O)CC4=CC=CC=C4

Isomeric SMILES

CCN1C2=C(N=C1C3=CC(=C(C=C3)OC)O)N(C(=O)NC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H20N4O4/c1-3-24-17-19(22-18(24)14-9-10-16(29-2)15(26)11-14)25(21(28)23-20(17)27)12-13-7-5-4-6-8-13/h4-11,26H,3,12H2,1-2H3,(H,23,27,28)