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

Systemtic Name: N-[6-azanyl-2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-4-ethoxy-benzamide Openeye Name: N-[6-amino-2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-4-ethoxy-benzamide CAS Name: N-[6-amino-2-[(2,5-dimethylphenyl)methylthio]-4-oxo-1H-pyrimidin-5-yl]-4-ethoxybenzamide IUPAC Name: N-[6-amino-2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-4-ethoxybenzamide Traditional Name: N-[6-amino-2-[(2,5-dimethylbenzyl)thio]-4-keto-1H-pyrimidin-5-yl]-4-ethoxy-benzamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=C(C=CC(=C3)C)C)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=C(C=CC(=C3)C)C)N

InChI

InChI=1S/C22H24N4O3S/c1-4-29-17-9-7-15(8-10-17)20(27)24-18-19(23)25-22(26-21(18)28)30-12-16-11-13(2)5-6-14(16)3/h5-11H,4,12H2,1-3H3,(H,24,27)(H3,23,25,26,28)