5-[3-[[(2R)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-oxidanylidene-propyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-olate

Systemtic Name: 5-[3-[[(2R)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-oxidanylidene-propyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-olate Openeye Name: 5-[3-[[(1R)-1-benzyl-2-methoxy-2-oxo-ethyl]amino]-3-oxo-propyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-olate CAS Name: 5-[3-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]-6-methyl-2-(methylthio)-4-pyrimidinolate IUPAC Name: 5-[3-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]-6-methyl-2-methylsulfanylpyrimidin-4-olate Traditional Name: 5-[3-[[(1R)-1-benzyl-2-keto-2-methoxy-ethyl]amino]-3-keto-propyl]-6-methyl-2-(methylthio)pyrimidin-4-olate Formula: C19H22N3O4S- MolecularWeight: 388.46068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)[O-])CCC(=O)NC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)[O-])CCC(=O)N[C@H](CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C19H23N3O4S/c1-12-14(17(24)22-19(20-12)27-3)9-10-16(23)21-15(18(25)26-2)11-13-7-5-4-6-8-13/h4-8,15H,9-11H2,1-3H3,(H,21,23)(H,20,22,24)/p-1/t15-/m1/s1