N-cyclopropyl-2-[3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanoylamino]benzamide

Systemtic Name: N-cyclopropyl-2-[3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanoylamino]benzamide Openeye Name: N-cyclopropyl-2-[3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanoylamino]benzamide CAS Name: N-cyclopropyl-2-[[3-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxopropyl]amino]benzamide IUPAC Name: N-cyclopropyl-2-[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanoylamino]benzamide Traditional Name: N-cyclopropyl-2-[3-(2,6-diketo-1,3-dimethyl-purin-7-yl)propanoylamino]benzamide Formula: C20H22N6O4 MolecularWeight: 410.42648

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=CC=CC=C3C(=O)NC4CC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NC3=CC=CC=C3C(=O)NC4CC4

InChI

InChI=1S/C20H22N6O4/c1-24-17-16(19(29)25(2)20(24)30)26(11-21-17)10-9-15(27)23-14-6-4-3-5-13(14)18(28)22-12-7-8-12/h3-6,11-12H,7-10H2,1-2H3,(H,22,28)(H,23,27)