5-(2-hydroxyethyl)-2-[2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 5-(2-hydroxyethyl)-2-[2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 5-(2-hydroxyethyl)-2-[2-[(3-methoxyphenyl)methylamino]-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 5-(2-hydroxyethyl)-2-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 5-(2-hydroxyethyl)-2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 5-(2-hydroxyethyl)-2-[[2-keto-2-(m-anisylamino)ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C17H20N3O4S- MolecularWeight: 362.4234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC(=O)NCC2=CC(=CC=C2)OC)[O-])CCO

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC(=O)NCC2=CC(=CC=C2)OC)[O-])CCO

InChI

InChI=1S/C17H21N3O4S/c1-11-14(6-7-21)16(23)20-17(19-11)25-10-15(22)18-9-12-4-3-5-13(8-12)24-2/h3-5,8,21H,6-7,9-10H2,1-2H3,(H,18,22)(H,19,20,23)/p-1