methyl 2-[methyl-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 2-[methyl-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[methyl-[6-[(5-methylisoxazol-3-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[methyl-[6-[(5-methyl-3-isoxazolyl)amino]-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[methyl-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[methyl-[6-[(5-methylisoxazol-3-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C17H16N6O5 MolecularWeight: 384.34614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC2=C(C(=NC=N2)N(C)C3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)NC2=C(C(=NC=N2)N(C)C3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H16N6O5/c1-10-8-13(21-28-10)20-15-14(23(25)26)16(19-9-18-15)22(2)12-7-5-4-6-11(12)17(24)27-3/h4-9H,1-3H3,(H,18,19,20,21)