3-methyl-8-(1-phenylethylamino)-7-(3-phenylpropyl)purine-2,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC3=C(N2CCCC4=CC=CC=C4)C(=O)NC(=O)N3C

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC3=C(N2CCCC4=CC=CC=C4)C(=O)NC(=O)N3C

InChI

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