5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-6-methyl-2-[(1S)-1-phenylethyl]sulfanyl-pyrimidin-4-olate

Systemtic Name: 5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-6-methyl-2-[(1S)-1-phenylethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-6-methyl-2-[(1S)-1-phenylethyl]sulfanyl-pyrimidin-4-olate CAS Name: 5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-6-methyl-2-[[(1S)-1-phenylethyl]thio]-4-pyrimidinolate IUPAC Name: 5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-6-methyl-2-[(1S)-1-phenylethyl]sulfanylpyrimidin-4-olate Traditional Name: 5-[2-keto-2-(piperonylamino)ethyl]-6-methyl-2-[[(1S)-1-phenylethyl]thio]pyrimidin-4-olate Formula: C23H22N3O4S- MolecularWeight: 436.50348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC(C)C2=CC=CC=C2)[O-])CC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(=NC(=N1)S[C@@H](C)C2=CC=CC=C2)[O-])CC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H23N3O4S/c1-14-18(11-21(27)24-12-16-8-9-19-20(10-16)30-13-29-19)22(28)26-23(25-14)31-15(2)17-6-4-3-5-7-17/h3-10,15H,11-13H2,1-2H3,(H,24,27)(H,25,26,28)/p-1/t15-/m0/s1