2-[4-[bis(prop-2-enyl)amino]-6-chloranyl-pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: 2-[4-[bis(prop-2-enyl)amino]-6-chloranyl-pyrimidin-2-yl]sulfanylethanoate Openeye Name: 2-[4-chloro-6-(diallylamino)pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-[bis(prop-2-enyl)amino]-6-chloro-2-pyrimidinyl]thio]acetate IUPAC Name: 2-[4-[bis(prop-2-enyl)amino]-6-chloropyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-chloro-6-(diallylamino)pyrimidin-2-yl]thio]acetate Formula: C12H13ClN3O2S- MolecularWeight: 298.76852

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC=C)C1=CC(=NC(=N1)SCC(=O)[O-])Cl

Isomeric SMILES

C=CCN(CC=C)C1=CC(=NC(=N1)SCC(=O)[O-])Cl

InChI

InChI=1S/C12H14ClN3O2S/c1-3-5-16(6-4-2)10-7-9(13)14-12(15-10)19-8-11(17)18/h3-4,7H,1-2,5-6,8H2,(H,17,18)/p-1