2-methylpropyl 4-[[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: 2-methylpropyl 4-[[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[6-[(4,5-dimethylthiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-[(4,5-dimethyl-2-thiazolyl)amino]-5-nitro-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-[(4,5-dimethylthiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C20H22N6O4S MolecularWeight: 442.49148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)OCC(C)C)C

Isomeric SMILES

CC1=C(SC(=N1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)OCC(C)C)C

InChI

InChI=1S/C20H22N6O4S/c1-11(2)9-30-19(27)14-5-7-15(8-6-14)24-17-16(26(28)29)18(22-10-21-17)25-20-23-12(3)13(4)31-20/h5-8,10-11H,9H2,1-4H3,(H2,21,22,23,24,25)