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

Systemtic Name: [3-[[4-(dimethylamino)-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [3-[[4-(dimethylamino)-6-isopropyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [3-[[[4-(dimethylamino)-6-propan-2-yl-2-pyrimidinyl]thio]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [3-[[4-(dimethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [3-[[[4-(dimethylamino)-6-isopropyl-pyrimidin-2-yl]thio]methyl]phenyl]-pyrrolidino-methanone Formula: C21H28N4OS MolecularWeight: 384.53822

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4OS/c1-15(2)18-13-19(24(3)4)23-21(22-18)27-14-16-8-7-9-17(12-16)20(26)25-10-5-6-11-25/h7-9,12-13,15H,5-6,10-11,14H2,1-4H3