N'-[6-[(6-methyl-1,3-benzothiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]-2-phenyl-ethanehydrazide

Systemtic Name: N'-[6-[(6-methyl-1,3-benzothiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]-2-phenyl-ethanehydrazide Openeye Name: N'-[6-[(6-methyl-1,3-benzothiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]-2-phenyl-acetohydrazide CAS Name: N'-[6-[(6-methyl-1,3-benzothiazol-2-yl)amino]-5-nitro-4-pyrimidinyl]-2-phenylacetohydrazide IUPAC Name: N'-[6-[(6-methyl-1,3-benzothiazol-2-yl)amino]-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide Traditional Name: N'-[6-[(6-methyl-1,3-benzothiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]-2-phenyl-acetohydrazide Formula: C20H17N7O3S MolecularWeight: 435.45908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC3=C(C(=NC=N3)NNC(=O)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC3=C(C(=NC=N3)NNC(=O)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N7O3S/c1-12-7-8-14-15(9-12)31-20(23-14)24-18-17(27(29)30)19(22-11-21-18)26-25-16(28)10-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,25,28)(H2,21,22,23,24,26)