N-[3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propyl]-2-phenyl-ethanamide

Systemtic Name: N-[3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propyl]-2-phenyl-ethanamide Openeye Name: N-[3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propyl]-2-phenyl-acetamide CAS Name: N-[3-(1,3-dimethyl-2,6-dioxo-7-purinyl)propyl]-2-phenylacetamide IUPAC Name: N-[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propyl]-2-phenylacetamide Traditional Name: N-[3-(2,6-diketo-1,3-dimethyl-purin-7-yl)propyl]-2-phenyl-acetamide Formula: C18H21N5O3 MolecularWeight: 355.39104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCNC(=O)CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCNC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H21N5O3/c1-21-16-15(17(25)22(2)18(21)26)23(12-20-16)10-6-9-19-14(24)11-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3,(H,19,24)