N2-(3-chlorophenyl)-N4-[3-(4-methylsulfonylpiperazin-1-yl)propyl]pyrimidine-2,4-diamine

Systemtic Name: N2-(3-chlorophenyl)-N4-[3-(4-methylsulfonylpiperazin-1-yl)propyl]pyrimidine-2,4-diamine Openeye Name: N2-(3-chlorophenyl)-N4-[3-(4-methylsulfonylpiperazin-1-yl)propyl]pyrimidine-2,4-diamine CAS Name: N2-(3-chlorophenyl)-N4-[3-(4-methylsulfonyl-1-piperazinyl)propyl]pyrimidine-2,4-diamine IUPAC Name: 2-N-(3-chlorophenyl)-4-N-[3-(4-methylsulfonylpiperazin-1-yl)propyl]pyrimidine-2,4-diamine Traditional Name: [2-(3-chloroanilino)pyrimidin-4-yl]-[3-(4-mesylpiperazino)propyl]amine Formula: C18H25ClN6O2S MolecularWeight: 424.9481

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)CCCNC2=NC(=NC=C2)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)CCCNC2=NC(=NC=C2)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H25ClN6O2S/c1-28(26,27)25-12-10-24(11-13-25)9-3-7-20-17-6-8-21-18(23-17)22-16-5-2-4-15(19)14-16/h2,4-6,8,14H,3,7,9-13H2,1H3,(H2,20,21,22,23)