2-[8-chloranyl-3-(2-cyclopropylethyl)-2,6-bis(oxidanylidene)-7H-purin-1-yl]ethanenitrile

Systemtic Name: 2-[8-chloranyl-3-(2-cyclopropylethyl)-2,6-bis(oxidanylidene)-7H-purin-1-yl]ethanenitrile Openeye Name: 2-[8-chloro-3-(2-cyclopropylethyl)-2,6-dioxo-7H-purin-1-yl]acetonitrile CAS Name: 2-[8-chloro-3-(2-cyclopropylethyl)-2,6-dioxo-7H-purin-1-yl]acetonitrile IUPAC Name: 2-[8-chloro-3-(2-cyclopropylethyl)-2,6-dioxo-7H-purin-1-yl]acetonitrile Traditional Name: 2-[8-chloro-3-(2-cyclopropylethyl)-2,6-diketo-7H-purin-1-yl]acetonitrile Formula: C12H12ClN5O2 MolecularWeight: 293.70898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1CCN2C3=C(C(=O)N(C2=O)CC#N)NC(=N3)Cl

Isomeric SMILES

C1CC1CCN2C3=C(C(=O)N(C2=O)CC#N)NC(=N3)Cl

InChI

InChI=1S/C12H12ClN5O2/c13-11-15-8-9(16-11)17(5-3-7-1-2-7)12(20)18(6-4-14)10(8)19/h7H,1-3,5-6H2,(H,15,16)