2-[2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]carbonylphenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]carbonylphenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazine-1-carbonyl]phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[2-[[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-oxomethyl]phenyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazine-1-carbonyl]phenyl]thio]-1-pyrrolidino-ethanone Formula: C25H33N5O2S MolecularWeight: 467.62682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)C3=CC=CC=C3SCC(=O)N4CCCC4

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)C3=CC=CC=C3SCC(=O)N4CCCC4

InChI

InChI=1S/C25H33N5O2S/c1-18(2)24-26-19(3)16-22(27-24)28-12-14-30(15-13-28)25(32)20-8-4-5-9-21(20)33-17-23(31)29-10-6-7-11-29/h4-5,8-9,16,18H,6-7,10-15,17H2,1-3H3