3-methyl-8-[(phenethylamino)methyl]-7-(phenylmethyl)purine-2,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)CNCCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)CNCCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H23N5O2/c1-26-20-19(21(28)25-22(26)29)27(15-17-10-6-3-7-11-17)18(24-20)14-23-13-12-16-8-4-2-5-9-16/h2-11,23H,12-15H2,1H3,(H,25,28,29)