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

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]-4-methyl-benzamide Openeye Name: N-(6-amino-2-benzylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-4-methyl-benzamide CAS Name: N-[6-amino-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]-4-methylbenzamide IUPAC Name: N-(6-amino-2-benzylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-4-methylbenzamide Traditional Name: N-[6-amino-2-(benzylthio)-4-keto-1H-pyrimidin-5-yl]-4-methyl-benzamide Formula: C19H18N4O2S MolecularWeight: 366.43682

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)N

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O2S/c1-12-7-9-14(10-8-12)17(24)21-15-16(20)22-19(23-18(15)25)26-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,21,24)(H3,20,22,23,25)