2-[4-azanyl-5-[1-(1H-pyrrol-2-yl)ethyl]pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-azanyl-5-[1-(1H-pyrrol-2-yl)ethyl]pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-amino-5-[1-(1H-pyrrol-2-yl)ethyl]pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-amino-5-[1-(1H-pyrrol-2-yl)ethyl]-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-amino-5-[1-(1H-pyrrol-2-yl)ethyl]pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-amino-5-[1-(1H-pyrrol-2-yl)ethyl]pyrimidin-2-yl]thio]acetic acid Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CN1)C2=CN=C(N=C2N)SCC(=O)O

Isomeric SMILES

CC(C1=CC=CN1)C2=CN=C(N=C2N)SCC(=O)O

InChI

InChI=1S/C12H14N4O2S/c1-7(9-3-2-4-14-9)8-5-15-12(16-11(8)13)19-6-10(17)18/h2-5,7,14H,6H2,1H3,(H,17,18)(H2,13,15,16)