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

Systemtic Name: 4,6-dimethyl-1H-pyrimidine-2-thione; (4-nitrophenyl)methyl hydrogen carbonate Openeye Name: 4,6-dimethyl-1H-pyrimidine-2-thione; (4-nitrophenyl)methyl hydrogen carbonate CAS Name: carbonic acid (4-nitrophenyl)methyl ester; 4,6-dimethyl-1H-pyrimidine-2-thione IUPAC Name: 4,6-dimethyl-1H-pyrimidine-2-thione; (4-nitrophenyl)methyl hydrogen carbonate Traditional Name: carbonic acid (4-nitrobenzyl) ester; 4,6-dimethyl-1H-pyrimidine-2-thione Formula: C14H15N3O5S MolecularWeight: 337.351

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=S)N1)C.C1=CC(=CC=C1COC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC(=S)N1)C.C1=CC(=CC=C1COC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C8H7NO5.C6H8N2S/c10-8(11)14-5-6-1-3-7(4-2-6)9(12)13;1-4-3-5(2)8-6(9)7-4/h1-4H,5H2,(H,10,11);3H,1-2H3,(H,7,8,9)