2-[4-azanyl-5-(4-ethoxyphenyl)pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-azanyl-5-(4-ethoxyphenyl)pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-amino-5-(4-ethoxyphenyl)pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-amino-5-(4-ethoxyphenyl)-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-amino-5-(4-ethoxyphenyl)pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[(4-amino-5-p-phenetyl-pyrimidin-2-yl)thio]acetic acid Formula: C14H15N3O3S MolecularWeight: 305.3522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CN=C(N=C2N)SCC(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CN=C(N=C2N)SCC(=O)O

InChI

InChI=1S/C14H15N3O3S/c1-2-20-10-5-3-9(4-6-10)11-7-16-14(17-13(11)15)21-8-12(18)19/h3-7H,2,8H2,1H3,(H,18,19)(H2,15,16,17)