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

Systemtic Name: 1,3-dimethyl-7-phenethyl-8-(phenethylamino)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-phenethyl-8-(phenethylamino)purine-2,6-dione CAS Name: 1,3-dimethyl-7-phenethyl-8-(phenethylamino)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-phenethyl-8-(phenethylamino)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-phenethyl-8-(phenethylamino)xanthine Formula: C23H25N5O2 MolecularWeight: 403.4769

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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)CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCC3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H25N5O2/c1-26-20-19(21(29)27(2)23(26)30)28(16-14-18-11-7-4-8-12-18)22(25-20)24-15-13-17-9-5-3-6-10-17/h3-12H,13-16H2,1-2H3,(H,24,25)