5,6-bis(pyrimidin-2-ylamino)isoindole-1,3-dione

Systemtic Name: 5,6-bis(pyrimidin-2-ylamino)isoindole-1,3-dione Openeye Name: 5,6-bis(pyrimidin-2-ylamino)isoindoline-1,3-dione CAS Name: 5,6-bis(2-pyrimidinylamino)isoindole-1,3-dione IUPAC Name: 5,6-bis(pyrimidin-2-ylamino)isoindole-1,3-dione Traditional Name: 5,6-bis(2-pyrimidylamino)isoindoline-1,3-quinone Formula: C16H11N7O2 MolecularWeight: 333.30424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NC2=C(C=C3C(=C2)C(=O)NC3=O)NC4=NC=CC=N4

Isomeric SMILES

C1=CN=C(N=C1)NC2=C(C=C3C(=C2)C(=O)NC3=O)NC4=NC=CC=N4

InChI

InChI=1S/C16H11N7O2/c24-13-9-7-11(21-15-17-3-1-4-18-15)12(8-10(9)14(25)23-13)22-16-19-5-2-6-20-16/h1-8H,(H,17,18,21)(H,19,20,22)(H,23,24,25)