[4-[[4-(methoxymethyl)-6-pyrrolidin-1-yl-pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[[4-(methoxymethyl)-6-pyrrolidin-1-yl-pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[[4-(methoxymethyl)-6-pyrrolidin-1-yl-pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[[4-(methoxymethyl)-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[[4-(methoxymethyl)-6-pyrrolidin-1-ylpyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[[[4-(methoxymethyl)-6-pyrrolidino-pyrimidin-2-yl]thio]methyl]phenyl]-pyrrolidino-methanone Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CCCC3)N4CCCC4

Isomeric SMILES

COCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CCCC3)N4CCCC4

InChI

InChI=1S/C22H28N4O2S/c1-28-15-19-14-20(25-10-2-3-11-25)24-22(23-19)29-16-17-6-8-18(9-7-17)21(27)26-12-4-5-13-26/h6-9,14H,2-5,10-13,15-16H2,1H3