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

Systemtic Name: 2-[4-azanyl-5-(thiophen-2-ylmethyl)pyrimidin-2-yl]sulfanylpropanoic acid Openeye Name: 2-[4-amino-5-(2-thienylmethyl)pyrimidin-2-yl]sulfanylpropanoic acid CAS Name: 2-[[4-amino-5-(thiophen-2-ylmethyl)-2-pyrimidinyl]thio]propanoic acid IUPAC Name: 2-[4-amino-5-(thiophen-2-ylmethyl)pyrimidin-2-yl]sulfanylpropanoic acid Traditional Name: 2-[[4-amino-5-(2-thenyl)pyrimidin-2-yl]thio]propionic acid Formula: C12H13N3O2S2 MolecularWeight: 295.38052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NC=C(C(=N1)N)CC2=CC=CS2

Isomeric SMILES

CC(C(=O)O)SC1=NC=C(C(=N1)N)CC2=CC=CS2

InChI

InChI=1S/C12H13N3O2S2/c1-7(11(16)17)19-12-14-6-8(10(13)15-12)5-9-3-2-4-18-9/h2-4,6-7H,5H2,1H3,(H,16,17)(H2,13,14,15)