1-[3-[[5-azanyl-6-[(4-butylphenyl)amino]pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[3-[[5-azanyl-6-[(4-butylphenyl)amino]pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[5-amino-6-(4-butylanilino)pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[5-amino-6-(4-butylanilino)-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[5-amino-6-(4-butylanilino)pyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[5-amino-6-(4-butylanilino)pyrimidin-4-yl]amino]phenyl]ethanone Formula: C22H25N5O MolecularWeight: 375.4668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC(=C3)C(=O)C)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC(=C3)C(=O)C)N

InChI

InChI=1S/C22H25N5O/c1-3-4-6-16-9-11-18(12-10-16)26-21-20(23)22(25-14-24-21)27-19-8-5-7-17(13-19)15(2)28/h5,7-14H,3-4,6,23H2,1-2H3,(H2,24,25,26,27)