5-(2-hydroxyethyl)-2-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 5-(2-hydroxyethyl)-2-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 5-(2-hydroxyethyl)-2-[(1R)-2-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 5-(2-hydroxyethyl)-2-[[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 5-(2-hydroxyethyl)-2-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 5-(2-hydroxyethyl)-2-[[(1R)-2-keto-1-methyl-2-(p-anisylamino)ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C18H22N3O4S- MolecularWeight: 376.44998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O4S/c1-11-15(8-9-22)17(24)21-18(20-11)26-12(2)16(23)19-10-13-4-6-14(25-3)7-5-13/h4-7,12,22H,8-10H2,1-3H3,(H,19,23)(H,20,21,24)/p-1/t12-/m1/s1