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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-(3-phenylpropyl)purin-8-yl]sulfanylethanehydrazide Openeye Name: 2-[1,3-dimethyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]sulfanylacetohydrazide CAS Name: 2-[[1,3-dimethyl-2,6-dioxo-7-(3-phenylpropyl)-8-purinyl]thio]acetohydrazide IUPAC Name: 2-[1,3-dimethyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]sulfanylacetohydrazide Traditional Name: 2-[[2,6-diketo-1,3-dimethyl-7-(3-phenylpropyl)purin-8-yl]thio]acetohydrazide Formula: C18H22N6O3S MolecularWeight: 402.47068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)NN)CCCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)NN)CCCC3=CC=CC=C3

InChI

InChI=1S/C18H22N6O3S/c1-22-15-14(16(26)23(2)18(22)27)24(17(20-15)28-11-13(25)21-19)10-6-9-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11,19H2,1-2H3,(H,21,25)