methyl 4-[[5-nitro-6-(propan-2-ylamino)pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 4-[[5-nitro-6-(propan-2-ylamino)pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[6-(isopropylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-nitro-6-(propan-2-ylamino)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-nitro-6-(propan-2-ylamino)pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(isopropylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C15H17N5O4 MolecularWeight: 331.32658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C15H17N5O4/c1-9(2)18-13-12(20(22)23)14(17-8-16-13)19-11-6-4-10(5-7-11)15(21)24-3/h4-9H,1-3H3,(H2,16,17,18,19)