4-(4-chlorophenyl)sulfanyl-6-[4-(2-ethoxyphenyl)piperazin-1-yl]pyrimidin-2-amine

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-6-[4-(2-ethoxyphenyl)piperazin-1-yl]pyrimidin-2-amine Openeye Name: 4-(4-chlorophenyl)sulfanyl-6-[4-(2-ethoxyphenyl)piperazin-1-yl]pyrimidin-2-amine CAS Name: 4-[(4-chlorophenyl)thio]-6-[4-(2-ethoxyphenyl)-1-piperazinyl]-2-pyrimidinamine IUPAC Name: 4-(4-chlorophenyl)sulfanyl-6-[4-(2-ethoxyphenyl)piperazin-1-yl]pyrimidin-2-amine Traditional Name: [4-[(4-chlorophenyl)thio]-6-(4-o-phenetylpiperazino)pyrimidin-2-yl]amine Formula: C22H24ClN5OS MolecularWeight: 441.97686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C3=CC(=NC(=N3)N)SC4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C3=CC(=NC(=N3)N)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H24ClN5OS/c1-2-29-19-6-4-3-5-18(19)27-11-13-28(14-12-27)20-15-21(26-22(24)25-20)30-17-9-7-16(23)8-10-17/h3-10,15H,2,11-14H2,1H3,(H2,24,25,26)