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

Systemtic Name: N-(6-azanyl-4-oxidanylidene-2-phenacylsulfanyl-1H-pyrimidin-5-yl)-4-ethoxy-benzamide Openeye Name: N-(6-amino-4-oxo-2-phenacylsulfanyl-1H-pyrimidin-5-yl)-4-ethoxy-benzamide CAS Name: N-[6-amino-4-oxo-2-(phenacylthio)-1H-pyrimidin-5-yl]-4-ethoxybenzamide IUPAC Name: N-(6-amino-4-oxo-2-phenacylsulfanyl-1H-pyrimidin-5-yl)-4-ethoxybenzamide Traditional Name: N-[6-amino-4-keto-2-(phenacylthio)-1H-pyrimidin-5-yl]-4-ethoxy-benzamide Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)C3=CC=CC=C3)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)C3=CC=CC=C3)N

InChI

InChI=1S/C21H20N4O4S/c1-2-29-15-10-8-14(9-11-15)19(27)23-17-18(22)24-21(25-20(17)28)30-12-16(26)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,23,27)(H3,22,24,25,28)