4-[[4-(methoxymethyl)-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: 4-[[4-(methoxymethyl)-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: 4-[[4-(methoxymethyl)-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-(methoxymethyl)-6-[methyl(propyl)amino]-2-pyrimidinyl]thio]methyl]benzoate IUPAC Name: 4-[[4-(methoxymethyl)-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-(methoxymethyl)-6-[methyl(propyl)amino]pyrimidin-2-yl]thio]methyl]benzoate Formula: C18H22N3O3S- MolecularWeight: 360.45058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(C)C1=NC(=NC(=C1)COC)SCC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CCCN(C)C1=NC(=NC(=C1)COC)SCC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C18H23N3O3S/c1-4-9-21(2)16-10-15(11-24-3)19-18(20-16)25-12-13-5-7-14(8-6-13)17(22)23/h5-8,10H,4,9,11-12H2,1-3H3,(H,22,23)/p-1