[3-[(2-azanylpyrimidin-4-yl)amino]-4-(2-hydroxyethyloxy)phenyl]arsonic acid

Systemtic Name: [3-[(2-azanylpyrimidin-4-yl)amino]-4-(2-hydroxyethyloxy)phenyl]arsonic acid Openeye Name: [3-[(2-aminopyrimidin-4-yl)amino]-4-(2-hydroxyethoxy)phenyl]arsonic acid CAS Name: [3-[(2-amino-4-pyrimidinyl)amino]-4-(2-hydroxyethoxy)phenyl]arsonic acid IUPAC Name: [3-[(2-aminopyrimidin-4-yl)amino]-4-(2-hydroxyethoxy)phenyl]arsonic acid Traditional Name: [3-[(2-aminopyrimidin-4-yl)amino]-4-(2-hydroxyethoxy)phenyl]arsonic acid Formula: C12H15AsN4O5 MolecularWeight: 370.1929

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[As](=O)(O)O)NC2=NC(=NC=C2)N)OCCO

Isomeric SMILES

C1=CC(=C(C=C1[As](=O)(O)O)NC2=NC(=NC=C2)N)OCCO

InChI

InChI=1S/C12H15AsN4O5/c14-12-15-4-3-11(17-12)16-9-7-8(13(19,20)21)1-2-10(9)22-6-5-18/h1-4,7,18H,5-6H2,(H2,19,20,21)(H3,14,15,16,17)