2-(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanyl-1-[4-(diphenylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanyl-1-[4-(diphenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-2-(4-chloro-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanyl-ethanone CAS Name: 2-[[4-chloro-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]-1-[4-(diphenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-2-(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-(4-benzhydrylpiperazino)-2-[(4-chloro-6-pyrrolidino-pyrimidin-2-yl)thio]ethanone Formula: C27H30ClN5OS MolecularWeight: 508.078

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC(=N2)SCC(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

C1CCN(C1)C2=CC(=NC(=N2)SCC(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C27H30ClN5OS/c28-23-19-24(31-13-7-8-14-31)30-27(29-23)35-20-25(34)32-15-17-33(18-16-32)26(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,9-12,19,26H,7-8,13-18,20H2