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5,6-bis(pyrimidin-4-ylamino)isoindole-1,3-dione

5,6-bis(pyrimidin-4-ylamino)isoindole-1,3-dione

Systemtic Name:5,6-bis(pyrimidin-4-ylamino)isoindole-1,3-dione
Openeye Name:5,6-bis(pyrimidin-4-ylamino)isoindoline-1,3-dione
CAS Name:5,6-bis(4-pyrimidinylamino)isoindole-1,3-dione
IUPAC Name:5,6-bis(pyrimidin-4-ylamino)isoindole-1,3-dione
Traditional Name:5,6-bis(4-pyrimidylamino)isoindoline-1,3-quinone
Formula: C16H11N7O2
MolecularWeight: 333.30424
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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CN=C1NC2=C(C=C3C(=C2)C(=O)NC3=O)NC4=NC=NC=C4


Isomeric SMILES

C1=CN=CN=C1NC2=C(C=C3C(=C2)C(=O)NC3=O)NC4=NC=NC=C4


InChI

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


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