N-[(2-aminocarbonylhydrazinyl)methylidene]-3-azanyl-6-chloranyl-5-(propan-2-ylamino)pyrazine-2-carboxamide hydrate dihydrochloride

Systemtic Name: N-[(2-aminocarbonylhydrazinyl)methylidene]-3-azanyl-6-chloranyl-5-(propan-2-ylamino)pyrazine-2-carboxamide hydrate dihydrochloride Openeye Name: 3-amino-N-[(2-carbamoylhydrazino)methylene]-6-chloro-5-(isopropylamino)pyrazine-2-carboxamide hydrate dihydrochloride CAS Name: 3-amino-N-[(carbamoylhydrazo)methylidene]-6-chloro-5-(propan-2-ylamino)-2-pyrazinecarboxamide hydrate dihydrochloride IUPAC Name: 3-amino-N-[(2-carbamoylhydrazinyl)methylidene]-6-chloro-5-(propan-2-ylamino)pyrazine-2-carboxamide hydrate dihydrochloride Traditional Name: 3-amino-6-chloro-5-(isopropylamino)-N-(semicarbazidomethylene)pyrazinamide hydrate dihydrochloride Formula: C10H19Cl3N8O3 MolecularWeight: 405.66866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC(=C(N=C1Cl)C(=O)N=CNNC(=O)N)N.O.Cl.Cl

Isomeric SMILES

CC(C)NC1=NC(=C(N=C1Cl)C(=O)N=CNNC(=O)N)N.O.Cl.Cl

InChI

InChI=1S/C10H15ClN8O2.2ClH.H2O/c1-4(2)16-8-6(11)17-5(7(12)18-8)9(20)14-3-15-19-10(13)21;;;/h3-4H,1-2H3,(H3,12,16,18)(H3,13,19,21)(H,14,15,20);2*1H;1H2