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(4-dimethylaminophenyl)methyl-[(6-methoxycarbonyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-methyl-azanium

(4-dimethylaminophenyl)methyl-[(6-methoxycarbonyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-methyl-azanium

Systemtic Name:(4-dimethylaminophenyl)methyl-[(6-methoxycarbonyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-methyl-azanium
Openeye Name:(4-dimethylaminophenyl)methyl-[(6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-methyl-ammonium
CAS Name:(4-dimethylaminophenyl)methyl-[(6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-methylammonium
IUPAC Name:(4-dimethylaminophenyl)methyl-[(6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-methylazanium
Traditional Name:(6-carbomethoxy-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[4-(dimethylamino)benzyl]-methyl-ammonium
Formula: C20H25N4O3S+
MolecularWeight: 401.5025
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+](C)CC3=CC=C(C=C3)N(C)C)C(=O)OC


Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+](C)CC3=CC=C(C=C3)N(C)C)C(=O)OC


InChI

InChI=1S/C20H24N4O3S/c1-12-16-18(25)21-15(22-19(16)28-17(12)20(26)27-5)11-24(4)10-13-6-8-14(9-7-13)23(2)3/h6-9H,10-11H2,1-5H3,(H,21,22,25)/p+1


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