1-[(E)-(5-azanyl-4-methyl-isoquinolin-1-yl)methylideneamino]thiourea; methanesulfonic acid

Systemtic Name: 1-[(E)-(5-azanyl-4-methyl-isoquinolin-1-yl)methylideneamino]thiourea; methanesulfonic acid Openeye Name: [(E)-(5-amino-4-methyl-1-isoquinolyl)methyleneamino]thiourea; methanesulfonic acid CAS Name: [(E)-(5-amino-4-methyl-1-isoquinolinyl)methylideneamino]thiourea; methanesulfonic acid IUPAC Name: [(E)-(5-amino-4-methylisoquinolin-1-yl)methylideneamino]thiourea; methanesulfonic acid Traditional Name: [(E)-(5-amino-4-methyl-1-isoquinolyl)methyleneamino]thiourea; mesylic acid Formula: C13H17N5O3S2 MolecularWeight: 355.43578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C2=C1C(=CC=C2)N)C=NNC(=S)N.CS(=O)(=O)O

Isomeric SMILES

CC1=CN=C(C2=C1C(=CC=C2)N)/C=N/NC(=S)N.CS(=O)(=O)O

InChI

InChI=1S/C12H13N5S.CH4O3S/c1-7-5-15-10(6-16-17-12(14)18)8-3-2-4-9(13)11(7)8;1-5(2,3)4/h2-6H,13H2,1H3,(H3,14,17,18);1H3,(H,2,3,4)/b16-6+;