[3-[[4-(diethylamino)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [3-[[4-(diethylamino)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [3-[[4-(diethylamino)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [3-[[[4-(diethylamino)-5,6-dimethyl-2-pyrimidinyl]thio]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [3-[[4-(diethylamino)-5,6-dimethylpyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [3-[[[4-(diethylamino)-5,6-dimethyl-pyrimidin-2-yl]thio]methyl]phenyl]-pyrrolidino-methanone Formula: C22H30N4OS MolecularWeight: 398.5648

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=NC(=C1C)C)SCC2=CC=CC(=C2)C(=O)N3CCCC3

Isomeric SMILES

CCN(CC)C1=NC(=NC(=C1C)C)SCC2=CC=CC(=C2)C(=O)N3CCCC3

InChI

InChI=1S/C22H30N4OS/c1-5-25(6-2)20-16(3)17(4)23-22(24-20)28-15-18-10-9-11-19(14-18)21(27)26-12-7-8-13-26/h9-11,14H,5-8,12-13,15H2,1-4H3