3-[[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]propanoate

Systemtic Name: 3-[[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]propanoate Openeye Name: 3-[(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoate CAS Name: 3-[[6-methyl-4-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]propanoate IUPAC Name: 3-[(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoate Traditional Name: 3-[(5-benzyl-4-keto-6-methyl-1H-pyrimidin-2-yl)thio]propionate Formula: C15H15N2O3S- MolecularWeight: 303.3562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCCC(=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCCC(=O)[O-])CC2=CC=CC=C2

InChI

InChI=1S/C15H16N2O3S/c1-10-12(9-11-5-3-2-4-6-11)14(20)17-15(16-10)21-8-7-13(18)19/h2-6H,7-9H2,1H3,(H,18,19)(H,16,17,20)/p-1