N-[2-[[2-phenyl-6-[4-(2-sulfanylphenyl)carbonylpiperazin-1-yl]pyrimidin-4-yl]amino]ethyl]ethanamide

Systemtic Name: N-[2-[[2-phenyl-6-[4-(2-sulfanylphenyl)carbonylpiperazin-1-yl]pyrimidin-4-yl]amino]ethyl]ethanamide Openeye Name: N-[2-[[2-phenyl-6-[4-(2-sulfanylbenzoyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethyl]acetamide CAS Name: N-[2-[[6-[4-[(2-mercaptophenyl)-oxomethyl]-1-piperazinyl]-2-phenyl-4-pyrimidinyl]amino]ethyl]acetamide IUPAC Name: N-[2-[[2-phenyl-6-[4-(2-sulfanylbenzoyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethyl]acetamide Traditional Name: N-[2-[[6-[4-(2-mercaptobenzoyl)piperazino]-2-phenyl-pyrimidin-4-yl]amino]ethyl]acetamide Formula: C25H28N6O2S MolecularWeight: 476.59382

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3S)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3S)C4=CC=CC=C4

InChI

InChI=1S/C25H28N6O2S/c1-18(32)26-11-12-27-22-17-23(29-24(28-22)19-7-3-2-4-8-19)30-13-15-31(16-14-30)25(33)20-9-5-6-10-21(20)34/h2-10,17,34H,11-16H2,1H3,(H,26,32)(H,27,28,29)