methyl 4-[[6-(1-methoxypropan-2-ylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 4-[[6-(1-methoxypropan-2-ylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[6-[(2-methoxy-1-methyl-ethyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(1-methoxypropan-2-ylamino)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-(1-methoxypropan-2-ylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-[(2-methoxy-1-methyl-ethyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C16H19N5O5 MolecularWeight: 361.35256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O5/c1-10(8-25-2)19-14-13(21(23)24)15(18-9-17-14)20-12-6-4-11(5-7-12)16(22)26-3/h4-7,9-10H,8H2,1-3H3,(H2,17,18,19,20)