[3-[[4-tert-butyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [3-[[4-tert-butyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [3-[[4-tert-butyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [3-[[[4-tert-butyl-6-(dimethylamino)-2-pyrimidinyl]thio]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [3-[[4-tert-butyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [3-[[[4-tert-butyl-6-(dimethylamino)pyrimidin-2-yl]thio]methyl]phenyl]-pyrrolidino-methanone Formula: C22H30N4OS MolecularWeight: 398.5648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4OS/c1-22(2,3)18-14-19(25(4)5)24-21(23-18)28-15-16-9-8-10-17(13-16)20(27)26-11-6-7-12-26/h8-10,13-14H,6-7,11-12,15H2,1-5H3