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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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