N-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]ethyl]benzamide

Systemtic Name: N-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]ethyl]benzamide Openeye Name: N-[2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)ethyl]benzamide CAS Name: N-[2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)ethyl]benzamide IUPAC Name: N-[2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)ethyl]benzamide Traditional Name: N-[2-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)ethyl]benzamide Formula: C16H17N5O3 MolecularWeight: 327.33788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCNC(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H17N5O3/c1-20-13-12(15(23)21(2)16(20)24)18-11(19-13)8-9-17-14(22)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,17,22)(H,18,19)