1-ethyl-3-(2-methoxyphenyl)-7-(1-phenylethyl)purine-2,6-dione

Systemtic Name: 1-ethyl-3-(2-methoxyphenyl)-7-(1-phenylethyl)purine-2,6-dione Openeye Name: 1-ethyl-3-(2-methoxyphenyl)-7-(1-phenylethyl)purine-2,6-dione CAS Name: 1-ethyl-3-(2-methoxyphenyl)-7-(1-phenylethyl)purine-2,6-dione IUPAC Name: 1-ethyl-3-(2-methoxyphenyl)-7-(1-phenylethyl)purine-2,6-dione Traditional Name: 1-ethyl-3-(2-methoxyphenyl)-7-(1-phenylethyl)xanthine Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=CN2C(C)C3=CC=CC=C3)N(C1=O)C4=CC=CC=C4OC

Isomeric SMILES

CCN1C(=O)C2=C(N=CN2C(C)C3=CC=CC=C3)N(C1=O)C4=CC=CC=C4OC

InChI

InChI=1S/C22H22N4O3/c1-4-24-21(27)19-20(23-14-25(19)15(2)16-10-6-5-7-11-16)26(22(24)28)17-12-8-9-13-18(17)29-3/h5-15H,4H2,1-3H3