5-methyl-4-oxidanylidene-N-(3-oxidanylpyridin-1-ium-2-yl)-2-(phenylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 5-methyl-4-oxidanylidene-N-(3-oxidanylpyridin-1-ium-2-yl)-2-(phenylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 2-benzyl-N-(3-hydroxypyridin-1-ium-2-yl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(3-hydroxy-2-pyridin-1-iumyl)-5-methyl-4-oxo-2-(phenylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide IUPAC Name: 2-benzyl-N-(3-hydroxypyridin-1-ium-2-yl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 2-benzyl-N-(3-hydroxypyridin-1-ium-2-yl)-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C20H17N4O3S+ MolecularWeight: 393.43898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CC3=CC=CC=C3)C(=O)NC4=C(C=CC=[NH+]4)O

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CC3=CC=CC=C3)C(=O)NC4=C(C=CC=[NH+]4)O

InChI

InChI=1S/C20H16N4O3S/c1-11-15-18(26)22-14(10-12-6-3-2-4-7-12)23-20(15)28-16(11)19(27)24-17-13(25)8-5-9-21-17/h2-9,25H,10H2,1H3,(H,21,24,27)(H,22,23,26)/p+1