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

Systemtic Name: 2-[4-azanyl-1-ethyl-2,6-bis(oxidanylidene)-3-prop-2-enyl-pyrimidin-5-yl]sulfanylethanoic acid Openeye Name: 2-(1-allyl-6-amino-3-ethyl-2,4-dioxo-pyrimidin-5-yl)sulfanylacetic acid CAS Name: 2-[(4-amino-1-ethyl-2,6-dioxo-3-prop-2-enyl-5-pyrimidinyl)thio]acetic acid IUPAC Name: 2-(4-amino-1-ethyl-2,6-dioxo-3-prop-2-enylpyrimidin-5-yl)sulfanylacetic acid Traditional Name: 2-[(1-allyl-6-amino-3-ethyl-2,4-diketo-pyrimidin-5-yl)thio]acetic acid Formula: C11H15N3O4S MolecularWeight: 285.3195

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(N(C1=O)CC=C)N)SCC(=O)O

Isomeric SMILES

CCN1C(=O)C(=C(N(C1=O)CC=C)N)SCC(=O)O

InChI

InChI=1S/C11H15N3O4S/c1-3-5-14-9(12)8(19-6-7(15)16)10(17)13(4-2)11(14)18/h3H,1,4-6,12H2,2H3,(H,15,16)