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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NC2=C(C=C(C(=C2)C(=O)N)C(=O)N)NC3=NC=CC=N3

Isomeric SMILES

C1=CN=C(N=C1)NC2=C(C=C(C(=C2)C(=O)N)C(=O)N)NC3=NC=CC=N3

InChI

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