2-[(2-azanyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methyl]isoindole-1,3-dione

Systemtic Name: 2-[(2-azanyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methyl]isoindole-1,3-dione Openeye Name: 2-[(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methyl]isoindoline-1,3-dione CAS Name: 2-[(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methyl]isoindole-1,3-dione IUPAC Name: 2-[(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[(2-amino-4-keto-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methyl]isoindoline-1,3-quinone Formula: C15H11N5O3 MolecularWeight: 309.27954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CNC4=C3C(=O)N=C(N4)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CNC4=C3C(=O)N=C(N4)N

InChI

InChI=1S/C15H11N5O3/c16-15-18-11-10(12(21)19-15)7(5-17-11)6-20-13(22)8-3-1-2-4-9(8)14(20)23/h1-5H,6H2,(H4,16,17,18,19,21)