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

Systemtic Name: dimethyl-[3-[(6-methyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)carbamothioylamino]propyl]azanium Openeye Name: dimethyl-[3-[(6-methyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)carbamothioylamino]propyl]ammonium CAS Name: dimethyl-[3-[[[(6-methyl-4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)amino]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)carbamothioylamino]propyl]azanium Traditional Name: 3-[(4-keto-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C19H24N5OS2+ MolecularWeight: 402.55676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5OS2/c1-13-15(14-8-5-4-6-9-14)16-17(27-13)21-12-24(18(16)25)22-19(26)20-10-7-11-23(2)3/h4-6,8-9,12H,7,10-11H2,1-3H3,(H2,20,22,26)/p+1