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

Systemtic Name: 8-(ethylamino)-3-methyl-7-phenacyl-purine-2,6-dione Openeye Name: 8-(ethylamino)-3-methyl-7-phenacyl-purine-2,6-dione CAS Name: 8-(ethylamino)-3-methyl-7-phenacylpurine-2,6-dione IUPAC Name: 8-(ethylamino)-3-methyl-7-phenacylpurine-2,6-dione Traditional Name: 8-(ethylamino)-3-methyl-7-phenacyl-xanthine Formula: C16H17N5O3 MolecularWeight: 327.33788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC2=C(N1CC(=O)C3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CCNC1=NC2=C(N1CC(=O)C3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C16H17N5O3/c1-3-17-15-18-13-12(14(23)19-16(24)20(13)2)21(15)9-11(22)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,17,18)(H,19,23,24)