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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)CNCCC3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)CNCCC3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H25N5O2/c1-27-21-20(22(29)26-23(27)30)28(15-13-18-10-6-3-7-11-18)19(25-21)16-24-14-12-17-8-4-2-5-9-17/h2-11,24H,12-16H2,1H3,(H,26,29,30)