N-[6-acetamido-2-[(3-methylphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]thiophene-2-carboxamide

Systemtic Name: N-[6-acetamido-2-[(3-methylphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]thiophene-2-carboxamide Openeye Name: N-[6-acetamido-2-(m-tolylmethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]thiophene-2-carboxamide CAS Name: N-[6-acetamido-2-[(3-methylphenyl)methylthio]-4-oxo-1H-pyrimidin-5-yl]-2-thiophenecarboxamide IUPAC Name: N-[6-acetamido-2-[(3-methylphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]thiophene-2-carboxamide Traditional Name: N-[6-acetamido-4-keto-2-[(3-methylbenzyl)thio]-1H-pyrimidin-5-yl]thiophene-2-carboxamide Formula: C19H18N4O3S2 MolecularWeight: 414.50122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC(=O)C(=C(N2)NC(=O)C)NC(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC(=O)C(=C(N2)NC(=O)C)NC(=O)C3=CC=CS3

InChI

InChI=1S/C19H18N4O3S2/c1-11-5-3-6-13(9-11)10-28-19-22-16(20-12(2)24)15(18(26)23-19)21-17(25)14-7-4-8-27-14/h3-9H,10H2,1-2H3,(H,21,25)(H2,20,22,23,24,26)