4,5-bis(pyrimidin-4-ylamino)benzene-1,2-dicarboxamide

Systemtic Name: 4,5-bis(pyrimidin-4-ylamino)benzene-1,2-dicarboxamide Openeye Name: 4,5-bis(pyrimidin-4-ylamino)phthalamide CAS Name: 4,5-bis(4-pyrimidinylamino)benzene-1,2-dicarboxamide IUPAC Name: 4,5-bis(pyrimidin-4-ylamino)benzene-1,2-dicarboxamide Traditional Name: 4,5-bis(4-pyrimidylamino)phthalamide Formula: C16H14N8O2 MolecularWeight: 350.33476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CN=C1NC2=C(C=C(C(=C2)C(=O)N)C(=O)N)NC3=NC=NC=C3

Isomeric SMILES

C1=CN=CN=C1NC2=C(C=C(C(=C2)C(=O)N)C(=O)N)NC3=NC=NC=C3

InChI

InChI=1S/C16H14N8O2/c17-15(25)9-5-11(23-13-1-3-19-7-21-13)12(6-10(9)16(18)26)24-14-2-4-20-8-22-14/h1-8H,(H2,17,25)(H2,18,26)(H,19,21,23)(H,20,22,24)