6-[4-(3-chlorophenyl)piperazin-1-yl]-N4-(2-ethylphenyl)pyrimidine-4,5-diamine

Systemtic Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N4-(2-ethylphenyl)pyrimidine-4,5-diamine Openeye Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N4-(2-ethylphenyl)pyrimidine-4,5-diamine CAS Name: 6-[4-(3-chlorophenyl)-1-piperazinyl]-N4-(2-ethylphenyl)pyrimidine-4,5-diamine IUPAC Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-4-N-(2-ethylphenyl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-[4-(3-chlorophenyl)piperazino]pyrimidin-4-yl]-(2-ethylphenyl)amine Formula: C22H25ClN6 MolecularWeight: 408.9271

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC=NC(=C2N)N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC=NC(=C2N)N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H25ClN6/c1-2-16-6-3-4-9-19(16)27-21-20(24)22(26-15-25-21)29-12-10-28(11-13-29)18-8-5-7-17(23)14-18/h3-9,14-15H,2,10-13,24H2,1H3,(H,25,26,27)