5-[[4-(methoxymethyl)-6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: 5-[[4-(methoxymethyl)-6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[[4-(methoxymethyl)-6-[(2S)-2-methyl-1-piperidyl]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[4-(methoxymethyl)-6-[(2S)-2-methyl-1-piperidinyl]-2-pyrimidinyl]thio]methyl]-2-furancarboxylate IUPAC Name: 5-[[4-(methoxymethyl)-6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[4-(methoxymethyl)-6-[(2S)-2-methylpiperidino]pyrimidin-2-yl]thio]methyl]-2-furoate Formula: C18H22N3O4S- MolecularWeight: 376.44998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=NC(=NC(=C2)COC)SCC3=CC=C(O3)C(=O)[O-]

Isomeric SMILES

C[C@H]1CCCCN1C2=NC(=NC(=C2)COC)SCC3=CC=C(O3)C(=O)[O-]

InChI

InChI=1S/C18H23N3O4S/c1-12-5-3-4-8-21(12)16-9-13(10-24-2)19-18(20-16)26-11-14-6-7-15(25-14)17(22)23/h6-7,9,12H,3-5,8,10-11H2,1-2H3,(H,22,23)/p-1/t12-/m0/s1