N-[4-[[6-[(3-methylpyridin-2-yl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide

Systemtic Name: N-[4-[[6-[(3-methylpyridin-2-yl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[[6-[(3-methyl-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide CAS Name: N-[4-[[6-[(3-methyl-2-pyridinyl)amino]-5-nitro-4-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[6-[(3-methylpyridin-2-yl)amino]-5-nitropyrimidin-4-yl]amino]phenyl]acetamide Traditional Name: N-[4-[[6-[(3-methyl-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide Formula: C18H17N7O3 MolecularWeight: 379.37268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=C(N=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C18H17N7O3/c1-11-4-3-9-19-16(11)24-18-15(25(27)28)17(20-10-21-18)23-14-7-5-13(6-8-14)22-12(2)26/h3-10H,1-2H3,(H,22,26)(H2,19,20,21,23,24)