dimethyl-[2-[(6-methyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)carbamothioylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[(6-methyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)carbamothioylamino]ethyl]azanium Openeye Name: dimethyl-[2-[(6-methyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)carbamothioylamino]ethyl]ammonium CAS Name: dimethyl-[2-[[[(6-methyl-4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)amino]-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)carbamothioylamino]ethyl]azanium Traditional Name: 2-[(4-keto-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C18H22N5OS2+ MolecularWeight: 388.53018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=CN(C2=O)NC(=S)NCC[NH+](C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=C(S1)N=CN(C2=O)NC(=S)NCC[NH+](C)C)C3=CC=CC=C3

InChI

InChI=1S/C18H21N5OS2/c1-12-14(13-7-5-4-6-8-13)15-16(26-12)20-11-23(17(15)24)21-18(25)19-9-10-22(2)3/h4-8,11H,9-10H2,1-3H3,(H2,19,21,25)/p+1