2-(cyclohexylmethyl)-1-(2-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine dinitrate

Systemtic Name: 2-(cyclohexylmethyl)-1-(2-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine dinitrate Openeye Name: 2-(cyclohexylmethyl)-1-(2-methyl-4-quinolyl)-3-thiazol-2-yl-guanidine dinitrate CAS Name: 2-(cyclohexylmethyl)-1-(2-methyl-4-quinolinyl)-3-(2-thiazolyl)guanidine dinitrate IUPAC Name: 2-(cyclohexylmethyl)-1-(2-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine dinitrate Traditional Name: 2-(cyclohexylmethyl)-1-(2-methyl-4-quinolyl)-3-thiazol-2-yl-guanidine dinitrate Formula: C21H25N7O6S-2 MolecularWeight: 503.5315

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=NCC3CCCCC3)NC4=NC=CS4.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=NCC3CCCCC3)NC4=NC=CS4.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]

InChI

InChI=1S/C21H25N5S.2NO3/c1-15-13-19(17-9-5-6-10-18(17)24-15)25-20(26-21-22-11-12-27-21)23-14-16-7-3-2-4-8-16;2*2-1(3)4/h5-6,9-13,16H,2-4,7-8,14H2,1H3,(H2,22,23,24,25,26);;/q;2*-1