2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone Openeye Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-1-[4-(m-tolyl)piperazin-1-yl]ethanone CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-1-[4-(3-methylphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]-1-[4-(m-tolyl)piperazino]ethanone Formula: C25H28ClN5OS MolecularWeight: 482.04072

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SCC(=O)N2CCN(CC2)C3=CC=CC(=C3)C)N)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)SCC(=O)N2CCN(CC2)C3=CC=CC(=C3)C)N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H28ClN5OS/c1-3-21-23(18-7-9-19(26)10-8-18)24(27)29-25(28-21)33-16-22(32)31-13-11-30(12-14-31)20-6-4-5-17(2)15-20/h4-10,15H,3,11-14,16H2,1-2H3,(H2,27,28,29)