potassium 4-azanyl-2-(triphenylmethyl)sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: potassium 4-azanyl-2-(triphenylmethyl)sulfanyl-pyrimidine-5-carboxylate Openeye Name: potassium 4-amino-2-tritylsulfanyl-pyrimidine-5-carboxylate CAS Name: potassium 4-amino-2-[(triphenylmethyl)thio]-5-pyrimidinecarboxylate IUPAC Name: potassium 4-amino-2-tritylsulfanylpyrimidine-5-carboxylate Traditional Name: potassium 4-amino-2-(tritylthio)pyrimidine-5-carboxylate Formula: C24H18KN3O2S MolecularWeight: 451.58192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC4=NC=C(C(=N4)N)C(=O)[O-].[K+]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC4=NC=C(C(=N4)N)C(=O)[O-].[K+]

InChI

InChI=1S/C24H19N3O2S.K/c25-21-20(22(28)29)16-26-23(27-21)30-24(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-16H,(H,28,29)(H2,25,26,27);/q;+1/p-1