[3-[[4-[cyclohexyl(methyl)amino]-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [3-[[4-[cyclohexyl(methyl)amino]-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [3-[[4-[cyclohexyl(methyl)amino]-6-isopropyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [3-[[[4-[cyclohexyl(methyl)amino]-6-propan-2-yl-2-pyrimidinyl]thio]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [3-[[4-[cyclohexyl(methyl)amino]-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [3-[[[4-[cyclohexyl(methyl)amino]-6-isopropyl-pyrimidin-2-yl]thio]methyl]phenyl]-pyrrolidino-methanone Formula: C26H36N4OS MolecularWeight: 452.65524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N3CCCC3)N(C)C4CCCCC4

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N3CCCC3)N(C)C4CCCCC4

InChI

InChI=1S/C26H36N4OS/c1-19(2)23-17-24(29(3)22-12-5-4-6-13-22)28-26(27-23)32-18-20-10-9-11-21(16-20)25(31)30-14-7-8-15-30/h9-11,16-17,19,22H,4-8,12-15,18H2,1-3H3