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

Systemtic Name: (4-chlorophenyl)methyl hydrogen carbonate; 4,6-dimethyl-1H-pyrimidine-2-thione Openeye Name: (4-chlorophenyl)methyl hydrogen carbonate; 4,6-dimethyl-1H-pyrimidine-2-thione CAS Name: carbonic acid (4-chlorophenyl)methyl ester; 4,6-dimethyl-1H-pyrimidine-2-thione IUPAC Name: (4-chlorophenyl)methyl hydrogen carbonate; 4,6-dimethyl-1H-pyrimidine-2-thione Traditional Name: carbonic acid (4-chlorobenzyl) ester; 4,6-dimethyl-1H-pyrimidine-2-thione Formula: C14H15ClN2O3S MolecularWeight: 326.7985

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=S)N1)C.C1=CC(=CC=C1COC(=O)O)Cl

Isomeric SMILES

CC1=CC(=NC(=S)N1)C.C1=CC(=CC=C1COC(=O)O)Cl

InChI

InChI=1S/C8H7ClO3.C6H8N2S/c9-7-3-1-6(2-4-7)5-12-8(10)11;1-4-3-5(2)8-6(9)7-4/h1-4H,5H2,(H,10,11);3H,1-2H3,(H,7,8,9)