2-azanyl-5-[[(4-azanyl-3-nitro-phenyl)amino]methyl]pyrrolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-azanyl-5-[[(4-azanyl-3-nitro-phenyl)amino]methyl]pyrrolo[2,3-d]pyrimidin-4-one Openeye Name: 2-amino-5-[(4-amino-3-nitro-anilino)methyl]pyrrolo[2,3-d]pyrimidin-4-one CAS Name: 2-amino-5-[(4-amino-3-nitroanilino)methyl]-4-pyrrolo[2,3-d]pyrimidinone IUPAC Name: 2-amino-5-[(4-amino-3-nitroanilino)methyl]pyrrolo[2,3-d]pyrimidin-4-one Traditional Name: 2-amino-5-[(4-amino-3-nitro-anilino)methyl]pyrrolo[2,3-d]pyrimidin-4-one Formula: C13H11N7O3 MolecularWeight: 313.27154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NCC2=C3C(=NC(=NC3=O)N)N=C2)[N+](=O)[O-])N

Isomeric SMILES

C1=CC(=C(C=C1NCC2=C3C(=NC(=NC3=O)N)N=C2)[N+](=O)[O-])N

InChI

InChI=1S/C13H11N7O3/c14-8-2-1-7(3-9(8)20(22)23)16-4-6-5-17-11-10(6)12(21)19-13(15)18-11/h1-3,5,16H,4,14H2,(H2,15,19,21)