N-(2,4-dimethylphenyl)-5-methyl-4-oxidanylidene-2-(pyrrolidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-(2,4-dimethylphenyl)-5-methyl-4-oxidanylidene-2-(pyrrolidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(2,4-dimethylphenyl)-5-methyl-4-oxo-2-(pyrrolidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(2,4-dimethylphenyl)-5-methyl-4-oxo-2-(1-pyrrolidin-1-iumylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide IUPAC Name: N-(2,4-dimethylphenyl)-5-methyl-4-oxo-2-(pyrrolidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(2,4-dimethylphenyl)-4-keto-5-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C(NC3=O)C[NH+]4CCCC4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C(NC3=O)C[NH+]4CCCC4)C)C

InChI

InChI=1S/C21H24N4O2S/c1-12-6-7-15(13(2)10-12)22-20(27)18-14(3)17-19(26)23-16(24-21(17)28-18)11-25-8-4-5-9-25/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,22,27)(H,23,24,26)/p+1