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

Systemtic Name: N-[6-acetamido-4-oxidanylidene-2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]benzamide Openeye Name: N-[6-acetamido-2-[2-(isopropylamino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]benzamide CAS Name: N-[6-acetamido-4-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]-1H-pyrimidin-5-yl]benzamide IUPAC Name: N-[6-acetamido-4-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]benzamide Traditional Name: N-[6-acetamido-2-[[2-(isopropylamino)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-5-yl]benzamide Formula: C18H21N5O4S MolecularWeight: 403.45544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=NC(=O)C(=C(N1)NC(=O)C)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)NC(=O)CSC1=NC(=O)C(=C(N1)NC(=O)C)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H21N5O4S/c1-10(2)19-13(25)9-28-18-22-15(20-11(3)24)14(17(27)23-18)21-16(26)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H,19,25)(H,21,26)(H2,20,22,23,24,27)