N-[6-acetamido-2-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]benzamide

Systemtic Name: N-[6-acetamido-2-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]benzamide Openeye Name: N-[6-acetamido-2-[2-(tert-butylamino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]benzamide CAS Name: N-[6-acetamido-2-[[2-(tert-butylamino)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]benzamide IUPAC Name: N-[6-acetamido-2-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]benzamide Traditional Name: N-[6-acetamido-2-[[2-(tert-butylamino)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-5-yl]benzamide Formula: C19H23N5O4S MolecularWeight: 417.48202

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=O)N=C(N1)SCC(=O)NC(C)(C)C)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=C(C(=O)N=C(N1)SCC(=O)NC(C)(C)C)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H23N5O4S/c1-11(25)20-15-14(21-16(27)12-8-6-5-7-9-12)17(28)23-18(22-15)29-10-13(26)24-19(2,3)4/h5-9H,10H2,1-4H3,(H,21,27)(H,24,26)(H2,20,22,23,25,28)