N-(1,3-benzodioxol-5-yl)-3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-(1,3-dimethyl-2,6-dioxo-7-purinyl)propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-(2,6-diketo-1,3-dimethyl-purin-7-yl)propionamide Formula: C17H17N5O5 MolecularWeight: 371.34738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H17N5O5/c1-20-15-14(16(24)21(2)17(20)25)22(8-18-15)6-5-13(23)19-10-3-4-11-12(7-10)27-9-26-11/h3-4,7-8H,5-6,9H2,1-2H3,(H,19,23)