5-[[4-methyl-6-oxidanidyl-5-(phenylmethyl)pyrimidin-2-yl]sulfanylmethyl]thiophene-2-carboxylate

Systemtic Name: 5-[[4-methyl-6-oxidanidyl-5-(phenylmethyl)pyrimidin-2-yl]sulfanylmethyl]thiophene-2-carboxylate Openeye Name: 5-[(5-benzyl-4-methyl-6-oxido-pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-[[[4-methyl-6-oxido-5-(phenylmethyl)-2-pyrimidinyl]thio]methyl]-2-thiophenecarboxylate IUPAC Name: 5-[(5-benzyl-4-methyl-6-oxidopyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-[[(5-benzyl-4-methyl-6-oxido-pyrimidin-2-yl)thio]methyl]-2-thenoate Formula: C18H14N2O3S2-2 MolecularWeight: 370.44536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC=C(S2)C(=O)[O-])[O-])CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC=C(S2)C(=O)[O-])[O-])CC3=CC=CC=C3

InChI

InChI=1S/C18H16N2O3S2/c1-11-14(9-12-5-3-2-4-6-12)16(21)20-18(19-11)24-10-13-7-8-15(25-13)17(22)23/h2-8H,9-10H2,1H3,(H,22,23)(H,19,20,21)/p-2