5-(4-chloranylphenoxy)-4-[4-(phenylsulfonyl)piperazin-1-yl]pyrimidin-2-amine

Systemtic Name: 5-(4-chloranylphenoxy)-4-[4-(phenylsulfonyl)piperazin-1-yl]pyrimidin-2-amine Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-5-(4-chlorophenoxy)pyrimidin-2-amine CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-5-(4-chlorophenoxy)-2-pyrimidinamine IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-5-(4-chlorophenoxy)pyrimidin-2-amine Traditional Name: [4-(4-besylpiperazino)-5-(4-chlorophenoxy)pyrimidin-2-yl]amine Formula: C20H20ClN5O3S MolecularWeight: 445.9225

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC(=NC=C2OC3=CC=C(C=C3)Cl)N)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC(=NC=C2OC3=CC=C(C=C3)Cl)N)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H20ClN5O3S/c21-15-6-8-16(9-7-15)29-18-14-23-20(22)24-19(18)25-10-12-26(13-11-25)30(27,28)17-4-2-1-3-5-17/h1-9,14H,10-13H2,(H2,22,23,24)