2-[4-azanyl-5-(thiophen-3-ylmethyl)pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-azanyl-5-(thiophen-3-ylmethyl)pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-amino-5-(3-thienylmethyl)pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-amino-5-(3-thiophenylmethyl)-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-amino-5-(thiophen-3-ylmethyl)pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-amino-5-(3-thenyl)pyrimidin-2-yl]thio]acetic acid Formula: C11H11N3O2S2 MolecularWeight: 281.35394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC=C1CC2=CN=C(N=C2N)SCC(=O)O

Isomeric SMILES

C1=CSC=C1CC2=CN=C(N=C2N)SCC(=O)O

InChI

InChI=1S/C11H11N3O2S2/c12-10-8(3-7-1-2-17-5-7)4-13-11(14-10)18-6-9(15)16/h1-2,4-5H,3,6H2,(H,15,16)(H2,12,13,14)