2-cyclopropyl-4,5-dimethyl-N-[1-(phenylmethyl)pyridin-1-ium-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 2-cyclopropyl-4,5-dimethyl-N-[1-(phenylmethyl)pyridin-1-ium-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(1-benzylpyridin-1-ium-2-yl)-2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 2-cyclopropyl-4,5-dimethyl-N-[1-(phenylmethyl)-2-pyridin-1-iumyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(1-benzylpyridin-1-ium-2-yl)-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(1-benzylpyridin-1-ium-2-yl)-2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C24H23N4OS+ MolecularWeight: 415.53062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)C)C3CC3)C(=O)NC4=CC=CC=[N+]4CC5=CC=CC=C5

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)C)C3CC3)C(=O)NC4=CC=CC=[N+]4CC5=CC=CC=C5

InChI

InChI=1S/C24H22N4OS/c1-15-20-16(2)25-22(18-11-12-18)27-24(20)30-21(15)23(29)26-19-10-6-7-13-28(19)14-17-8-4-3-5-9-17/h3-10,13,18H,11-12,14H2,1-2H3/p+1