N-[6-acetamido-2-(3-methylbutylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]benzamide

Systemtic Name: N-[6-acetamido-2-(3-methylbutylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]benzamide Openeye Name: N-(6-acetamido-2-isopentylsulfanyl-4-oxo-1H-pyrimidin-5-yl)benzamide CAS Name: N-[6-acetamido-2-(3-methylbutylthio)-4-oxo-1H-pyrimidin-5-yl]benzamide IUPAC Name: N-[6-acetamido-2-(3-methylbutylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]benzamide Traditional Name: N-[6-acetamido-2-(isoamylthio)-4-keto-1H-pyrimidin-5-yl]benzamide Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC(=O)C(=C(N1)NC(=O)C)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)CCSC1=NC(=O)C(=C(N1)NC(=O)C)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H22N4O3S/c1-11(2)9-10-26-18-21-15(19-12(3)23)14(17(25)22-18)20-16(24)13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H,20,24)(H2,19,21,22,23,25)