4-(cyclohexylamino)-5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenoxy]prop-1-ynyl]pyrimidine-2-carbonitrile

Systemtic Name: 4-(cyclohexylamino)-5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenoxy]prop-1-ynyl]pyrimidine-2-carbonitrile Openeye Name: 4-(cyclohexylamino)-5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenoxy]prop-1-ynyl]pyrimidine-2-carbonitrile CAS Name: 4-(cyclohexylamino)-5-[3-[4-[(4-methyl-1-piperazinyl)methyl]phenoxy]prop-1-ynyl]-2-pyrimidinecarbonitrile IUPAC Name: 4-(cyclohexylamino)-5-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenoxy]prop-1-ynyl]pyrimidine-2-carbonitrile Traditional Name: 4-(cyclohexylamino)-5-[3-[4-[(4-methylpiperazino)methyl]phenoxy]prop-1-ynyl]pyrimidine-2-carbonitrile Formula: C26H32N6O MolecularWeight: 444.57188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC=C(C=C2)OCC#CC3=CN=C(N=C3NC4CCCCC4)C#N

Isomeric SMILES

CN1CCN(CC1)CC2=CC=C(C=C2)OCC#CC3=CN=C(N=C3NC4CCCCC4)C#N

InChI

InChI=1S/C26H32N6O/c1-31-13-15-32(16-14-31)20-21-9-11-24(12-10-21)33-17-5-6-22-19-28-25(18-27)30-26(22)29-23-7-3-2-4-8-23/h9-12,19,23H,2-4,7-8,13-17,20H2,1H3,(H,28,29,30)