4,6-dimethyl-1H-pyrimidine-2-thione; (diphenylmethyl) hydrogen carbonate

Systemtic Name: 4,6-dimethyl-1H-pyrimidine-2-thione; (diphenylmethyl) hydrogen carbonate Openeye Name: benzhydryl hydrogen carbonate; 4,6-dimethyl-1H-pyrimidine-2-thione CAS Name: carbonic acid (diphenylmethyl) ester; 4,6-dimethyl-1H-pyrimidine-2-thione IUPAC Name: benzhydryl hydrogen carbonate; 4,6-dimethyl-1H-pyrimidine-2-thione Traditional Name: carbonic acid benzhydryl ester; 4,6-dimethyl-1H-pyrimidine-2-thione Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=S)N1)C.C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)O

Isomeric SMILES

CC1=CC(=NC(=S)N1)C.C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)O

InChI

InChI=1S/C14H12O3.C6H8N2S/c15-14(16)17-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-4-3-5(2)8-6(9)7-4/h1-10,13H,(H,15,16);3H,1-2H3,(H,7,8,9)