N'-[5-azanyl-6-[(3-methoxyphenyl)amino]pyrimidin-4-yl]-4-bromanyl-benzohydrazide

Systemtic Name: N'-[5-azanyl-6-[(3-methoxyphenyl)amino]pyrimidin-4-yl]-4-bromanyl-benzohydrazide Openeye Name: N'-[5-amino-6-(3-methoxyanilino)pyrimidin-4-yl]-4-bromo-benzohydrazide CAS Name: N'-[5-amino-6-(3-methoxyanilino)-4-pyrimidinyl]-4-bromobenzohydrazide IUPAC Name: N'-[5-amino-6-(3-methoxyanilino)pyrimidin-4-yl]-4-bromobenzohydrazide Traditional Name: N'-[5-amino-6-(m-anisidino)pyrimidin-4-yl]-4-bromo-benzohydrazide Formula: C18H17BrN6O2 MolecularWeight: 429.27058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=C(C(=NC=N2)NNC(=O)C3=CC=C(C=C3)Br)N

Isomeric SMILES

COC1=CC=CC(=C1)NC2=C(C(=NC=N2)NNC(=O)C3=CC=C(C=C3)Br)N

InChI

InChI=1S/C18H17BrN6O2/c1-27-14-4-2-3-13(9-14)23-16-15(20)17(22-10-21-16)24-25-18(26)11-5-7-12(19)8-6-11/h2-10H,20H2,1H3,(H,25,26)(H2,21,22,23,24)