2-[[3-(5-methylpyridin-2-yl)-4-oxidanylidene-1H-quinazolin-3-ium-2-yl]sulfanyl]-N-(phenylmethyl)-N-propan-2-yl-ethanamide

Systemtic Name: 2-[[3-(5-methylpyridin-2-yl)-4-oxidanylidene-1H-quinazolin-3-ium-2-yl]sulfanyl]-N-(phenylmethyl)-N-propan-2-yl-ethanamide Openeye Name: N-benzyl-N-isopropyl-2-[[3-(5-methyl-2-pyridyl)-4-oxo-1H-quinazolin-3-ium-2-yl]sulfanyl]acetamide CAS Name: 2-[[3-(5-methyl-2-pyridinyl)-4-oxo-1H-quinazolin-3-ium-2-yl]thio]-N-(phenylmethyl)-N-propan-2-ylacetamide IUPAC Name: N-benzyl-2-[[3-(5-methylpyridin-2-yl)-4-oxo-1H-quinazolin-3-ium-2-yl]sulfanyl]-N-propan-2-ylacetamide Traditional Name: N-benzyl-N-isopropyl-2-[[4-keto-3-(5-methyl-2-pyridyl)-1H-quinazolin-3-ium-2-yl]thio]acetamide Formula: C26H27N4O2S+ MolecularWeight: 459.58318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SCC(=O)N(CC4=CC=CC=C4)C(C)C

Isomeric SMILES

CC1=CN=C(C=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SCC(=O)N(CC4=CC=CC=C4)C(C)C

InChI

InChI=1S/C26H26N4O2S/c1-18(2)29(16-20-9-5-4-6-10-20)24(31)17-33-26-28-22-12-8-7-11-21(22)25(32)30(26)23-14-13-19(3)15-27-23/h4-15,18H,16-17H2,1-3H3/p+1