N-(4-methoxy-2-nitro-phenyl)-2-[[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-methoxy-2-nitro-phenyl)-2-[[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: 2-[(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methoxy-2-nitro-phenyl)acetamide CAS Name: N-(4-methoxy-2-nitrophenyl)-2-[[6-methyl-4-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]acetamide IUPAC Name: 2-[(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methoxy-2-nitrophenyl)acetamide Traditional Name: 2-[(5-benzyl-4-keto-6-methyl-1H-pyrimidin-2-yl)thio]-N-(4-methoxy-2-nitro-phenyl)acetamide Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C21H20N4O5S/c1-13-16(10-14-6-4-3-5-7-14)20(27)24-21(22-13)31-12-19(26)23-17-9-8-15(30-2)11-18(17)25(28)29/h3-9,11H,10,12H2,1-2H3,(H,23,26)(H,22,24,27)