1-cyano-2-[4,4-dimethyl-1,3-bis(oxidanylidene)isoquinolin-7-yl]guanidine

Systemtic Name: 1-cyano-2-[4,4-dimethyl-1,3-bis(oxidanylidene)isoquinolin-7-yl]guanidine Openeye Name: 1-cyano-2-(4,4-dimethyl-1,3-dioxo-7-isoquinolyl)guanidine CAS Name: 1-cyano-2-(4,4-dimethyl-1,3-dioxo-7-isoquinolinyl)guanidine IUPAC Name: 1-cyano-2-(4,4-dimethyl-1,3-dioxoisoquinolin-7-yl)guanidine Traditional Name: 1-cyano-2-(1,3-diketo-4,4-dimethyl-7-isoquinolyl)guanidine Formula: C13H13N5O2 MolecularWeight: 271.27462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=C(C=C2)N=C(N)NC#N)C(=O)NC1=O)C

Isomeric SMILES

CC1(C2=C(C=C(C=C2)N=C(N)NC#N)C(=O)NC1=O)C

InChI

InChI=1S/C13H13N5O2/c1-13(2)9-4-3-7(17-12(15)16-6-14)5-8(9)10(19)18-11(13)20/h3-5H,1-2H3,(H3,15,16,17)(H,18,19,20)