2-bromanyl-N'-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanoyl]benzohydrazide

Systemtic Name: 2-bromanyl-N'-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanoyl]benzohydrazide Openeye Name: 2-bromo-N'-[4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butanoyl]benzohydrazide CAS Name: 2-bromo-N'-[4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxobutyl]benzohydrazide IUPAC Name: 2-bromo-N'-[4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanoyl]benzohydrazide Traditional Name: 2-bromo-N'-[4-(2,6-diketo-1,3-dimethyl-purin-7-yl)butanoyl]benzohydrazide Formula: C18H19BrN6O4 MolecularWeight: 463.28526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)NNC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)NNC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C18H19BrN6O4/c1-23-15-14(17(28)24(2)18(23)29)25(10-20-15)9-5-8-13(26)21-22-16(27)11-6-3-4-7-12(11)19/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,21,26)(H,22,27)