4-(3-hydroxyphenyl)-6-methyl-N-pyridin-1-ium-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: 4-(3-hydroxyphenyl)-6-methyl-N-pyridin-1-ium-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: 4-(3-hydroxyphenyl)-6-methyl-N-pyridin-1-ium-2-yl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 4-(3-hydroxyphenyl)-6-methyl-N-(2-pyridin-1-iumyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: 4-(3-hydroxyphenyl)-6-methyl-N-pyridin-1-ium-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: 4-(3-hydroxyphenyl)-6-methyl-N-pyridin-1-ium-2-yl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C17H17N4O2S+ MolecularWeight: 341.40748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC(=CC=C2)O)C(=O)NC3=CC=CC=[NH+]3

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC(=CC=C2)O)C(=O)NC3=CC=CC=[NH+]3

InChI

InChI=1S/C17H16N4O2S/c1-10-14(16(23)20-13-7-2-3-8-18-13)15(21-17(24)19-10)11-5-4-6-12(22)9-11/h2-9,15,22H,1H3,(H,18,20,23)(H2,19,21,24)/p+1