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

Systemtic Name: N-[6-azanyl-2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-4-methoxy-benzamide Openeye Name: N-[6-amino-2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-4-methoxy-benzamide CAS Name: N-[6-amino-2-[(2,5-dimethylphenyl)methylthio]-4-oxo-1H-pyrimidin-5-yl]-4-methoxybenzamide IUPAC Name: N-[6-amino-2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-4-methoxybenzamide Traditional Name: N-[6-amino-2-[(2,5-dimethylbenzyl)thio]-4-keto-1H-pyrimidin-5-yl]-4-methoxy-benzamide Formula: C21H22N4O3S MolecularWeight: 410.48938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H22N4O3S/c1-12-4-5-13(2)15(10-12)11-29-21-24-18(22)17(20(27)25-21)23-19(26)14-6-8-16(28-3)9-7-14/h4-10H,11H2,1-3H3,(H,23,26)(H3,22,24,25,27)