7-(3-chloranylbut-2-enyl)-1,3-dimethyl-8-[2-(2-nitro-3-oxidanylidene-inden-1-ylidene)hydrazinyl]purine-2,6-dione

Systemtic Name: 7-(3-chloranylbut-2-enyl)-1,3-dimethyl-8-[2-(2-nitro-3-oxidanylidene-inden-1-ylidene)hydrazinyl]purine-2,6-dione Openeye Name: 7-(3-chlorobut-2-enyl)-1,3-dimethyl-8-[2-(2-nitro-3-oxo-indan-1-ylidene)hydrazino]purine-2,6-dione CAS Name: 7-(3-chlorobut-2-enyl)-1,3-dimethyl-8-[2-(2-nitro-3-oxo-1-indenylidene)hydrazinyl]purine-2,6-dione IUPAC Name: 7-(3-chlorobut-2-enyl)-1,3-dimethyl-8-[2-(2-nitro-3-oxoinden-1-ylidene)hydrazinyl]purine-2,6-dione Traditional Name: 7-(3-chlorobut-2-enyl)-8-[N'-(3-keto-2-nitro-indan-1-ylidene)hydrazino]-1,3-dimethyl-xanthine Formula: C20H18ClN7O5 MolecularWeight: 471.85382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1NN=C3C(C(=O)C4=CC=CC=C43)[N+](=O)[O-])N(C(=O)N(C2=O)C)C)Cl

Isomeric SMILES

CC(=CCN1C2=C(N=C1NN=C3C(C(=O)C4=CC=CC=C43)[N+](=O)[O-])N(C(=O)N(C2=O)C)C)Cl

InChI

InChI=1S/C20H18ClN7O5/c1-10(21)8-9-27-15-17(25(2)20(31)26(3)18(15)30)22-19(27)24-23-13-11-6-4-5-7-12(11)16(29)14(13)28(32)33/h4-8,14H,9H2,1-3H3,(H,22,24)