N-[2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoyl]-4-methoxy-benzamide

Systemtic Name: N-[2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoyl]-4-methoxy-benzamide Openeye Name: N-[2-(8-chloro-1,3-dimethyl-2,6-dioxo-purin-7-yl)acetyl]-4-methoxy-benzamide CAS Name: N-[2-(8-chloro-1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxoethyl]-4-methoxybenzamide IUPAC Name: N-[2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]-4-methoxybenzamide Traditional Name: N-[2-(8-chloro-2,6-diketo-1,3-dimethyl-purin-7-yl)acetyl]-4-methoxy-benzamide Formula: C17H16ClN5O5 MolecularWeight: 405.79244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN5O5/c1-21-13-12(15(26)22(2)17(21)27)23(16(18)20-13)8-11(24)19-14(25)9-4-6-10(28-3)7-5-9/h4-7H,8H2,1-3H3,(H,19,24,25)