2-azanyl-5-[[(4-iodophenyl)methylamino]methyl]pyrrolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-azanyl-5-[[(4-iodophenyl)methylamino]methyl]pyrrolo[2,3-d]pyrimidin-4-one Openeye Name: 2-amino-5-[[(4-iodophenyl)methylamino]methyl]pyrrolo[2,3-d]pyrimidin-4-one CAS Name: 2-amino-5-[[(4-iodophenyl)methylamino]methyl]-4-pyrrolo[2,3-d]pyrimidinone IUPAC Name: 2-amino-5-[[(4-iodophenyl)methylamino]methyl]pyrrolo[2,3-d]pyrimidin-4-one Traditional Name: 2-amino-5-[[(4-iodobenzyl)amino]methyl]pyrrolo[2,3-d]pyrimidin-4-one Formula: C14H12IN5O MolecularWeight: 393.18245

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNCC2=C3C(=NC(=NC3=O)N)N=C2)I

Isomeric SMILES

C1=CC(=CC=C1CNCC2=C3C(=NC(=NC3=O)N)N=C2)I

InChI

InChI=1S/C14H12IN5O/c15-10-3-1-8(2-4-10)5-17-6-9-7-18-12-11(9)13(21)20-14(16)19-12/h1-4,7,17H,5-6H2,(H2,16,20,21)