N-(6-azanyl-4-oxidanylidene-2-phenacylsulfanyl-1H-pyrimidin-5-yl)-4-methyl-benzamide

Systemtic Name: N-(6-azanyl-4-oxidanylidene-2-phenacylsulfanyl-1H-pyrimidin-5-yl)-4-methyl-benzamide Openeye Name: N-(6-amino-4-oxo-2-phenacylsulfanyl-1H-pyrimidin-5-yl)-4-methyl-benzamide CAS Name: N-[6-amino-4-oxo-2-(phenacylthio)-1H-pyrimidin-5-yl]-4-methylbenzamide IUPAC Name: N-(6-amino-4-oxo-2-phenacylsulfanyl-1H-pyrimidin-5-yl)-4-methylbenzamide Traditional Name: N-[6-amino-4-keto-2-(phenacylthio)-1H-pyrimidin-5-yl]-4-methyl-benzamide Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)C3=CC=CC=C3)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)C3=CC=CC=C3)N

InChI

InChI=1S/C20H18N4O3S/c1-12-7-9-14(10-8-12)18(26)22-16-17(21)23-20(24-19(16)27)28-11-15(25)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,22,26)(H3,21,23,24,27)