2-methylpropyl 4-[[6-(2-methoxyethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: 2-methylpropyl 4-[[6-(2-methoxyethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[6-(2-methoxyethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(2-methoxyethylamino)-5-nitro-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[6-(2-methoxyethylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(2-methoxyethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C18H23N5O5 MolecularWeight: 389.40572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCOC)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCOC)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O5/c1-12(2)10-28-18(24)13-4-6-14(7-5-13)22-17-15(23(25)26)16(20-11-21-17)19-8-9-27-3/h4-7,11-12H,8-10H2,1-3H3,(H2,19,20,21,22)