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

Systemtic Name: N-[6-azanyl-2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-4-methyl-benzamide Openeye Name: N-[6-amino-2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-4-methyl-benzamide CAS Name: N-[6-amino-2-[(2,5-dimethylphenyl)methylthio]-4-oxo-1H-pyrimidin-5-yl]-4-methylbenzamide IUPAC Name: N-[6-amino-2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-4-methylbenzamide Traditional Name: N-[6-amino-2-[(2,5-dimethylbenzyl)thio]-4-keto-1H-pyrimidin-5-yl]-4-methyl-benzamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=C(C=CC(=C3)C)C)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=C(C=CC(=C3)C)C)N

InChI

InChI=1S/C21H22N4O2S/c1-12-5-8-15(9-6-12)19(26)23-17-18(22)24-21(25-20(17)27)28-11-16-10-13(2)4-7-14(16)3/h4-10H,11H2,1-3H3,(H,23,26)(H3,22,24,25,27)