2-[4-azanyl-1-ethyl-2,6-bis(oxidanylidene)-3-propyl-pyrimidin-5-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-azanyl-1-ethyl-2,6-bis(oxidanylidene)-3-propyl-pyrimidin-5-yl]sulfanylethanoic acid Openeye Name: 2-(4-amino-1-ethyl-2,6-dioxo-3-propyl-pyrimidin-5-yl)sulfanylacetic acid CAS Name: 2-[(4-amino-1-ethyl-2,6-dioxo-3-propyl-5-pyrimidinyl)thio]acetic acid IUPAC Name: 2-(4-amino-1-ethyl-2,6-dioxo-3-propylpyrimidin-5-yl)sulfanylacetic acid Traditional Name: 2-[(4-amino-1-ethyl-2,6-diketo-3-propyl-pyrimidin-5-yl)thio]acetic acid Formula: C11H17N3O4S MolecularWeight: 287.33538

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)N(C1=O)CC)SCC(=O)O)N

Isomeric SMILES

CCCN1C(=C(C(=O)N(C1=O)CC)SCC(=O)O)N

InChI

InChI=1S/C11H17N3O4S/c1-3-5-14-9(12)8(19-6-7(15)16)10(17)13(4-2)11(14)18/h3-6,12H2,1-2H3,(H,15,16)