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

Systemtic Name: 4-[[4-(methoxymethyl)-6-pyrrolidin-1-yl-pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: 4-[[4-(methoxymethyl)-6-pyrrolidin-1-yl-pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-(methoxymethyl)-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]benzoate IUPAC Name: 4-[[4-(methoxymethyl)-6-pyrrolidin-1-ylpyrimidin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-(methoxymethyl)-6-pyrrolidino-pyrimidin-2-yl]thio]methyl]benzoate Formula: C18H20N3O3S- MolecularWeight: 358.4347

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)[O-])N3CCCC3

Isomeric SMILES

COCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)[O-])N3CCCC3

InChI

InChI=1S/C18H21N3O3S/c1-24-11-15-10-16(21-8-2-3-9-21)20-18(19-15)25-12-13-4-6-14(7-5-13)17(22)23/h4-7,10H,2-3,8-9,11-12H2,1H3,(H,22,23)/p-1