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

Systemtic Name: 2-[(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(1R)-2-(benzylamino)-1-methyl-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[(2R)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[(1R)-2-(benzylamino)-2-keto-1-methyl-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C17H20N3O2S- MolecularWeight: 330.4246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O2S/c1-3-7-14-10-15(21)20-17(19-14)23-12(2)16(22)18-11-13-8-5-4-6-9-13/h4-6,8-10,12H,3,7,11H2,1-2H3,(H,18,22)(H,19,20,21)/p-1/t12-/m1/s1