2-(4-pyrimidin-5-ylbutyl)isoindole-1,3-dione

Systemtic Name: 2-(4-pyrimidin-5-ylbutyl)isoindole-1,3-dione Openeye Name: 2-(4-pyrimidin-5-ylbutyl)isoindoline-1,3-dione CAS Name: 2-[4-(5-pyrimidinyl)butyl]isoindole-1,3-dione IUPAC Name: 2-(4-pyrimidin-5-ylbutyl)isoindole-1,3-dione Traditional Name: 2-[4-(5-pyrimidyl)butyl]isoindoline-1,3-quinone Formula: C16H15N3O2 MolecularWeight: 281.3092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCC3=CN=CN=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCC3=CN=CN=C3

InChI

InChI=1S/C16H15N3O2/c20-15-13-6-1-2-7-14(13)16(21)19(15)8-4-3-5-12-9-17-11-18-10-12/h1-2,6-7,9-11H,3-5,8H2