4-[2-[2-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylamino]-2-oxidanylidene-ethyl]sulfanyl-6-chloranyl-pyrimidin-4-yl]-2-methyl-N-propan-2-yl-piperazine-1-carboxamide

Systemtic Name: 4-[2-[2-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylamino]-2-oxidanylidene-ethyl]sulfanyl-6-chloranyl-pyrimidin-4-yl]-2-methyl-N-propan-2-yl-piperazine-1-carboxamide Openeye Name: 4-[2-[2-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butylamino]-2-oxo-ethyl]sulfanyl-6-chloro-pyrimidin-4-yl]-N-isopropyl-2-methyl-piperazine-1-carboxamide CAS Name: 4-[2-[[2-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylamino]-2-oxoethyl]thio]-6-chloro-4-pyrimidinyl]-2-methyl-N-propan-2-yl-1-piperazinecarboxamide IUPAC Name: 4-[2-[2-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylamino]-2-oxoethyl]sulfanyl-6-chloropyrimidin-4-yl]-2-methyl-N-propan-2-ylpiperazine-1-carboxamide Traditional Name: 4-[6-chloro-2-[[2-[4-(2,4-ditert-amylphenoxy)butylamino]-2-keto-ethyl]thio]pyrimidin-4-yl]-N-isopropyl-2-methyl-piperazine-1-carboxamide Formula: C35H55ClN6O3S MolecularWeight: 675.3676

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(C(C3)C)C(=O)NC(C)C)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(C(C3)C)C(=O)NC(C)C)C(C)(C)CC

InChI

InChI=1S/C35H55ClN6O3S/c1-10-34(6,7)26-14-15-28(27(20-26)35(8,9)11-2)45-19-13-12-16-37-31(43)23-46-32-39-29(36)21-30(40-32)41-17-18-42(25(5)22-41)33(44)38-24(3)4/h14-15,20-21,24-25H,10-13,16-19,22-23H2,1-9H3,(H,37,43)(H,38,44)