2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[6-(4-phenylpiperazino)pyrimidin-4-yl]thio]-1-pyrrolidino-ethanone Formula: C20H25N5OS MolecularWeight: 383.5104

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NC=NC(=C2)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NC=NC(=C2)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C20H25N5OS/c26-20(25-8-4-5-9-25)15-27-19-14-18(21-16-22-19)24-12-10-23(11-13-24)17-6-2-1-3-7-17/h1-3,6-7,14,16H,4-5,8-13,15H2