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

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]-4-methyl-benzamide Openeye Name: N-[6-amino-4-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]-4-methyl-benzamide CAS Name: N-[6-amino-4-oxo-2-(1-phenylethylthio)-1H-pyrimidin-5-yl]-4-methylbenzamide IUPAC Name: N-[6-amino-4-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]-4-methylbenzamide Traditional Name: N-[6-amino-4-keto-2-(1-phenylethylthio)-1H-pyrimidin-5-yl]-4-methyl-benzamide Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O2S/c1-12-8-10-15(11-9-12)18(25)22-16-17(21)23-20(24-19(16)26)27-13(2)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,22,25)(H3,21,23,24,26)