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

Systemtic Name: 2-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(1R)-2-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[(1R)-2-keto-1-methyl-2-(p-anisylamino)ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C18H22N3O3S- MolecularWeight: 360.45058

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SC(C)C(=O)NCC2=CC=C(C=C2)OC)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)S[C@H](C)C(=O)NCC2=CC=C(C=C2)OC)[O-]

InChI

InChI=1S/C18H23N3O3S/c1-4-5-14-10-16(22)21-18(20-14)25-12(2)17(23)19-11-13-6-8-15(24-3)9-7-13/h6-10,12H,4-5,11H2,1-3H3,(H,19,23)(H,20,21,22)/p-1/t12-/m1/s1