N4-(4-butylphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine

Systemtic Name: N4-(4-butylphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine Openeye Name: N4-(4-butylphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine CAS Name: N4-(4-butylphenyl)-6-[4-(4-fluorophenyl)-1-piperazinyl]pyrimidine-4,5-diamine IUPAC Name: 4-N-(4-butylphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine Traditional Name: [5-amino-6-[4-(4-fluorophenyl)piperazino]pyrimidin-4-yl]-(4-butylphenyl)amine Formula: C24H29FN6 MolecularWeight: 420.525663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2N)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2N)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H29FN6/c1-2-3-4-18-5-9-20(10-6-18)29-23-22(26)24(28-17-27-23)31-15-13-30(14-16-31)21-11-7-19(25)8-12-21/h5-12,17H,2-4,13-16,26H2,1H3,(H,27,28,29)