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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N3CCCC3)N(CC)CC

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N3CCCC3)N(CC)CC

InChI

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