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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-7-yl]benzamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-8-piperazin-1-yl-purin-7-yl)benzamide CAS Name: 2-[1,3-dimethyl-2,6-dioxo-8-(1-piperazinyl)-7-purinyl]benzamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxo-8-piperazin-1-ylpurin-7-yl)benzamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-8-piperazino-purin-7-yl)benzamide Formula: C18H21N7O3 MolecularWeight: 383.40444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)C4=CC=CC=C4C(=O)N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)C4=CC=CC=C4C(=O)N

InChI

InChI=1S/C18H21N7O3/c1-22-15-13(16(27)23(2)18(22)28)25(12-6-4-3-5-11(12)14(19)26)17(21-15)24-9-7-20-8-10-24/h3-6,20H,7-10H2,1-2H3,(H2,19,26)