6-methyl-2-methylsulfanyl-5-[3-oxidanylidene-3-[[(2R)-2-phenylpropyl]amino]propyl]pyrimidin-4-olate

Systemtic Name: 6-methyl-2-methylsulfanyl-5-[3-oxidanylidene-3-[[(2R)-2-phenylpropyl]amino]propyl]pyrimidin-4-olate Openeye Name: 6-methyl-2-methylsulfanyl-5-[3-oxo-3-[[(2R)-2-phenylpropyl]amino]propyl]pyrimidin-4-olate CAS Name: 6-methyl-2-(methylthio)-5-[3-oxo-3-[[(2R)-2-phenylpropyl]amino]propyl]-4-pyrimidinolate IUPAC Name: 6-methyl-2-methylsulfanyl-5-[3-oxo-3-[[(2R)-2-phenylpropyl]amino]propyl]pyrimidin-4-olate Traditional Name: 5-[3-keto-3-[[(2R)-2-phenylpropyl]amino]propyl]-6-methyl-2-(methylthio)pyrimidin-4-olate Formula: C18H22N3O2S- MolecularWeight: 344.45118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)[O-])CCC(=O)NCC(C)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)[O-])CCC(=O)NC[C@H](C)C2=CC=CC=C2

InChI

InChI=1S/C18H23N3O2S/c1-12(14-7-5-4-6-8-14)11-19-16(22)10-9-15-13(2)20-18(24-3)21-17(15)23/h4-8,12H,9-11H2,1-3H3,(H,19,22)(H,20,21,23)/p-1/t12-/m0/s1