2-[(pyrimidin-2-ylamino)methyl]isoindole-1,3-dione

Systemtic Name: 2-[(pyrimidin-2-ylamino)methyl]isoindole-1,3-dione Openeye Name: 2-[(pyrimidin-2-ylamino)methyl]isoindoline-1,3-dione CAS Name: 2-[(2-pyrimidinylamino)methyl]isoindole-1,3-dione IUPAC Name: 2-[(pyrimidin-2-ylamino)methyl]isoindole-1,3-dione Traditional Name: 2-[(2-pyrimidylamino)methyl]isoindoline-1,3-quinone Formula: C13H10N4O2 MolecularWeight: 254.2441

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CNC3=NC=CC=N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CNC3=NC=CC=N3

InChI

InChI=1S/C13H10N4O2/c18-11-9-4-1-2-5-10(9)12(19)17(11)8-16-13-14-6-3-7-15-13/h1-7H,8H2,(H,14,15,16)