2-[4-(6-methylpurin-9-yl)butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(6-methylpurin-9-yl)butyl]isoindole-1,3-dione Openeye Name: 2-[4-(6-methylpurin-9-yl)butyl]isoindoline-1,3-dione CAS Name: 2-[4-(6-methyl-9-purinyl)butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(6-methylpurin-9-yl)butyl]isoindole-1,3-dione Traditional Name: 2-[4-(6-methylpurin-9-yl)butyl]isoindoline-1,3-quinone Formula: C18H17N5O2 MolecularWeight: 335.35988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC=N1)N(C=N2)CCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=C2C(=NC=N1)N(C=N2)CCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C18H17N5O2/c1-12-15-16(20-10-19-12)22(11-21-15)8-4-5-9-23-17(24)13-6-2-3-7-14(13)18(23)25/h2-3,6-7,10-11H,4-5,8-9H2,1H3