N-[6-azanyl-2-[(3-methylphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-4-methyl-benzamide

Systemtic Name: N-[6-azanyl-2-[(3-methylphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-4-methyl-benzamide Openeye Name: N-[6-amino-2-(m-tolylmethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-4-methyl-benzamide CAS Name: N-[6-amino-2-[(3-methylphenyl)methylthio]-4-oxo-1H-pyrimidin-5-yl]-4-methylbenzamide IUPAC Name: N-[6-amino-2-[(3-methylphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-4-methylbenzamide Traditional Name: N-[6-amino-4-keto-2-[(3-methylbenzyl)thio]-1H-pyrimidin-5-yl]-4-methyl-benzamide Formula: C20H20N4O2S MolecularWeight: 380.4634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O2S/c1-12-6-8-15(9-7-12)18(25)22-16-17(21)23-20(24-19(16)26)27-11-14-5-3-4-13(2)10-14/h3-10H,11H2,1-2H3,(H,22,25)(H3,21,23,24,26)