2-azanyl-5-[[(4-iodophenyl)methylamino]methyl]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-azanyl-5-[[(4-iodophenyl)methylamino]methyl]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one Openeye Name: 2-amino-5-[[(4-iodophenyl)methylamino]methyl]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one CAS Name: 2-amino-5-[[(4-iodophenyl)methylamino]methyl]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-amino-5-[[(4-iodophenyl)methylamino]methyl]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one Traditional Name: 2-amino-5-[[(4-iodobenzyl)amino]methyl]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one Formula: C14H14IN5O MolecularWeight: 395.19833

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNCC2=CNC3=C2C(=O)N=C(N3)N)I

Isomeric SMILES

C1=CC(=CC=C1CNCC2=CNC3=C2C(=O)N=C(N3)N)I

InChI

InChI=1S/C14H14IN5O/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,(H4,16,18,19,20,21)