1-[[4,6-bis(azanyl)-5-nitroso-pyrimidin-2-yl]amino]-3-[(4-nitrophenyl)amino]propan-2-ol

Systemtic Name: 1-[[4,6-bis(azanyl)-5-nitroso-pyrimidin-2-yl]amino]-3-[(4-nitrophenyl)amino]propan-2-ol Openeye Name: 1-[(4,6-diamino-5-nitroso-pyrimidin-2-yl)amino]-3-(4-nitroanilino)propan-2-ol CAS Name: 1-[(4,6-diamino-5-nitroso-2-pyrimidinyl)amino]-3-(4-nitroanilino)-2-propanol IUPAC Name: 1-[(4,6-diamino-5-nitrosopyrimidin-2-yl)amino]-3-(4-nitroanilino)propan-2-ol Traditional Name: 1-[(4,6-diamino-5-nitroso-pyrimidin-2-yl)amino]-3-(4-nitroanilino)propan-2-ol Formula: C13H16N8O4 MolecularWeight: 348.31734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCC(CNC2=NC(=C(C(=N2)N)N=O)N)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NCC(CNC2=NC(=C(C(=N2)N)N=O)N)O)[N+](=O)[O-]

InChI

InChI=1S/C13H16N8O4/c14-11-10(20-23)12(15)19-13(18-11)17-6-9(22)5-16-7-1-3-8(4-2-7)21(24)25/h1-4,9,16,22H,5-6H2,(H5,14,15,17,18,19)