3-(1-iodanylprop-2-enyl)-8-(1-phenylethyl)-7H-purine-2,6-dione

Systemtic Name: 3-(1-iodanylprop-2-enyl)-8-(1-phenylethyl)-7H-purine-2,6-dione Openeye Name: 3-(1-iodoallyl)-8-(1-phenylethyl)-7H-purine-2,6-dione CAS Name: 3-(1-iodoprop-2-enyl)-8-(1-phenylethyl)-7H-purine-2,6-dione IUPAC Name: 3-(1-iodoprop-2-enyl)-8-(1-phenylethyl)-7H-purine-2,6-dione Traditional Name: 3-(1-iodoallyl)-8-(1-phenylethyl)-7H-purine-2,6-quinone Formula: C16H15IN4O2 MolecularWeight: 422.22037

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C2=NC3=C(N2)C(=O)NC(=O)N3C(C=C)I

Isomeric SMILES

CC(C1=CC=CC=C1)C2=NC3=C(N2)C(=O)NC(=O)N3C(C=C)I

InChI

InChI=1S/C16H15IN4O2/c1-3-11(17)21-14-12(15(22)20-16(21)23)18-13(19-14)9(2)10-7-5-4-6-8-10/h3-9,11H,1H2,2H3,(H,18,19)(H,20,22,23)