2-[4-(ethylamino)-5-(thiophen-2-ylmethyl)pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-(ethylamino)-5-(thiophen-2-ylmethyl)pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-(ethylamino)-5-(2-thienylmethyl)pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-(ethylamino)-5-(thiophen-2-ylmethyl)-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-(ethylamino)-5-(thiophen-2-ylmethyl)pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-(ethylamino)-5-(2-thenyl)pyrimidin-2-yl]thio]acetic acid Formula: C13H15N3O2S2 MolecularWeight: 309.4071

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC=C1CC2=CC=CS2)SCC(=O)O

Isomeric SMILES

CCNC1=NC(=NC=C1CC2=CC=CS2)SCC(=O)O

InChI

InChI=1S/C13H15N3O2S2/c1-2-14-12-9(6-10-4-3-5-19-10)7-15-13(16-12)20-8-11(17)18/h3-5,7H,2,6,8H2,1H3,(H,17,18)(H,14,15,16)