8-cyclopentyl-3-[(E)-3-iodanylprop-2-enyl]-1-propyl-7H-purine-2,6-dione

Systemtic Name: 8-cyclopentyl-3-[(E)-3-iodanylprop-2-enyl]-1-propyl-7H-purine-2,6-dione Openeye Name: 8-cyclopentyl-3-[(E)-3-iodoallyl]-1-propyl-7H-purine-2,6-dione CAS Name: 8-cyclopentyl-3-[(E)-3-iodoprop-2-enyl]-1-propyl-7H-purine-2,6-dione IUPAC Name: 8-cyclopentyl-3-[(E)-3-iodoprop-2-enyl]-1-propyl-7H-purine-2,6-dione Traditional Name: 8-cyclopentyl-3-[(E)-3-iodoallyl]-1-propyl-7H-purine-2,6-quinone Formula: C16H21IN4O2 MolecularWeight: 428.26801

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)C3CCCC3)N(C1=O)CC=CI

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)C3CCCC3)N(C1=O)C/C=C/I

InChI

InChI=1S/C16H21IN4O2/c1-2-9-21-15(22)12-14(20(16(21)23)10-5-8-17)19-13(18-12)11-6-3-4-7-11/h5,8,11H,2-4,6-7,9-10H2,1H3,(H,18,19)/b8-5+