3-methyl-7-phenacyl-8-(phenethylamino)purine-2,6-dione

Systemtic Name: 3-methyl-7-phenacyl-8-(phenethylamino)purine-2,6-dione Openeye Name: 3-methyl-7-phenacyl-8-(phenethylamino)purine-2,6-dione CAS Name: 3-methyl-7-phenacyl-8-(phenethylamino)purine-2,6-dione IUPAC Name: 3-methyl-7-phenacyl-8-(phenethylamino)purine-2,6-dione Traditional Name: 3-methyl-7-phenacyl-8-(phenethylamino)xanthine Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCC3=CC=CC=C3)CC(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCC3=CC=CC=C3)CC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5O3/c1-26-19-18(20(29)25-22(26)30)27(14-17(28)16-10-6-3-7-11-16)21(24-19)23-13-12-15-8-4-2-5-9-15/h2-11H,12-14H2,1H3,(H,23,24)(H,25,29,30)