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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCCC3=CC=CC=C3)N(C(=O)N(C2=O)CC4=CC=CC=C4)C

Isomeric SMILES

CN1C2=C(N=C1NCCC3=CC=CC=C3)N(C(=O)N(C2=O)CC4=CC=CC=C4)C

InChI

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