2-(6-methylheptan-2-yl)-1-(2-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine dinitrate

Systemtic Name: 2-(6-methylheptan-2-yl)-1-(2-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine dinitrate Openeye Name: 2-(1,5-dimethylhexyl)-1-(2-methyl-4-quinolyl)-3-thiazol-2-yl-guanidine dinitrate CAS Name: 2-(6-methylheptan-2-yl)-1-(2-methyl-4-quinolinyl)-3-(2-thiazolyl)guanidine dinitrate IUPAC Name: 2-(6-methylheptan-2-yl)-1-(2-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine dinitrate Traditional Name: 2-(1,5-dimethylhexyl)-1-(2-methyl-4-quinolyl)-3-thiazol-2-yl-guanidine dinitrate Formula: C22H29N7O6S-2 MolecularWeight: 519.57396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=NC(C)CCCC(C)C)NC3=NC=CS3.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=NC(C)CCCC(C)C)NC3=NC=CS3.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]

InChI

InChI=1S/C22H29N5S.2NO3/c1-15(2)8-7-9-16(3)25-21(27-22-23-12-13-28-22)26-20-14-17(4)24-19-11-6-5-10-18(19)20;2*2-1(3)4/h5-6,10-16H,7-9H2,1-4H3,(H2,23,24,25,26,27);;/q;2*-1