2-[(1R)-1-(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[(1R)-1-(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(1R)-1-(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[(1R)-1-(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(1R)-1-(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[(1R)-1-(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C21H19N4O2S2- MolecularWeight: 423.53116

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SC(C)C2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)S[C@H](C)C2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)[O-]

InChI

InChI=1S/C21H20N4O2S2/c1-3-7-14-10-16(26)23-21(22-14)29-12(2)18-24-19(27)17-15(11-28-20(17)25-18)13-8-5-4-6-9-13/h4-6,8-12H,3,7H2,1-2H3,(H,22,23,26)(H,24,25,27)/p-1/t12-/m1/s1