5-(4-octylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine

Systemtic Name: 5-(4-octylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine Openeye Name: 5-(4-octylphenyl)-2-[4-(2-pyridyl)piperazin-1-yl]pyrimidine-4,6-diamine CAS Name: 5-(4-octylphenyl)-2-[4-(2-pyridinyl)-1-piperazinyl]pyrimidine-4,6-diamine IUPAC Name: 5-(4-octylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine Traditional Name: [6-amino-5-(4-octylphenyl)-2-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amine Formula: C27H37N7 MolecularWeight: 459.62958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=C(N=C(N=C2N)N3CCN(CC3)C4=CC=CC=N4)N

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=C(N=C(N=C2N)N3CCN(CC3)C4=CC=CC=N4)N

InChI

InChI=1S/C27H37N7/c1-2-3-4-5-6-7-10-21-12-14-22(15-13-21)24-25(28)31-27(32-26(24)29)34-19-17-33(18-20-34)23-11-8-9-16-30-23/h8-9,11-16H,2-7,10,17-20H2,1H3,(H4,28,29,31,32)