1-[[6-(methylamino)-5-nitro-pyrimidin-4-yl]amino]-3-phenyl-urea

Systemtic Name: 1-[[6-(methylamino)-5-nitro-pyrimidin-4-yl]amino]-3-phenyl-urea Openeye Name: 1-[[6-(methylamino)-5-nitro-pyrimidin-4-yl]amino]-3-phenyl-urea CAS Name: 1-[[6-(methylamino)-5-nitro-4-pyrimidinyl]amino]-3-phenylurea IUPAC Name: 1-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]-3-phenylurea Traditional Name: 1-[[6-(methylamino)-5-nitro-pyrimidin-4-yl]amino]-3-phenyl-urea Formula: C12H13N7O3 MolecularWeight: 303.27672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C(=NC=N1)NNC(=O)NC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C(=NC=N1)NNC(=O)NC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N7O3/c1-13-10-9(19(21)22)11(15-7-14-10)17-18-12(20)16-8-5-3-2-4-6-8/h2-7H,1H3,(H2,16,18,20)(H2,13,14,15,17)