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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(C)C1=NC(=NC(=C1)CC)SCC2=CC=CC(=C2)C(=O)N3CCCC3

Isomeric SMILES

CCCN(C)C1=NC(=NC(=C1)CC)SCC2=CC=CC(=C2)C(=O)N3CCCC3

InChI

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