1,3-dimethyl-8-(phenethylamino)-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(phenethylamino)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-1,3-dimethyl-8-(phenethylamino)purine-2,6-dione CAS Name: 1,3-dimethyl-8-(phenethylamino)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1,3-dimethyl-8-(phenethylamino)purine-2,6-dione Traditional Name: 7-benzyl-1,3-dimethyl-8-(phenethylamino)xanthine Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H23N5O2/c1-25-19-18(20(28)26(2)22(25)29)27(15-17-11-7-4-8-12-17)21(24-19)23-14-13-16-9-5-3-6-10-16/h3-12H,13-15H2,1-2H3,(H,23,24)