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

Systemtic Name: 2-[4-azanyl-5-(furan-3-ylmethyl)pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-amino-5-(3-furylmethyl)pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-amino-5-(3-furanylmethyl)-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-amino-5-(furan-3-ylmethyl)pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-amino-5-(3-furfuryl)pyrimidin-2-yl]thio]acetic acid Formula: C11H11N3O3S MolecularWeight: 265.28834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N3O3S/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)