2-[4-azanyl-5-[(3-methylthiophen-2-yl)methyl]pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-azanyl-5-[(3-methylthiophen-2-yl)methyl]pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-amino-5-[(3-methyl-2-thienyl)methyl]pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-amino-5-[(3-methyl-2-thiophenyl)methyl]-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-amino-5-[(3-methylthiophen-2-yl)methyl]pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-amino-5-[(3-methyl-2-thienyl)methyl]pyrimidin-2-yl]thio]acetic acid Formula: C12H13N3O2S2 MolecularWeight: 295.38052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CC2=CN=C(N=C2N)SCC(=O)O

Isomeric SMILES

CC1=C(SC=C1)CC2=CN=C(N=C2N)SCC(=O)O

InChI

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