N4-(2-ethylphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine

Systemtic Name: N4-(2-ethylphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine Openeye Name: N4-(2-ethylphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine CAS Name: N4-(2-ethylphenyl)-6-[4-(4-fluorophenyl)-1-piperazinyl]pyrimidine-4,5-diamine IUPAC Name: 4-N-(2-ethylphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine Traditional Name: [5-amino-6-[4-(4-fluorophenyl)piperazino]pyrimidin-4-yl]-(2-ethylphenyl)amine Formula: C22H25FN6 MolecularWeight: 392.472503

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC=NC(=C2N)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC=NC(=C2N)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H25FN6/c1-2-16-5-3-4-6-19(16)27-21-20(24)22(26-15-25-21)29-13-11-28(12-14-29)18-9-7-17(23)8-10-18/h3-10,15H,2,11-14,24H2,1H3,(H,25,26,27)