ethyl 4-azanyl-2-[(3-nitrophenyl)methylsulfanyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[(3-nitrophenyl)methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(3-nitrophenyl)methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(3-nitrophenyl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(3-nitrophenyl)methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(3-nitrobenzyl)thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C14H14N4O4S MolecularWeight: 334.35036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O4S/c1-2-22-13(19)11-7-16-14(17-12(11)15)23-8-9-4-3-5-10(6-9)18(20)21/h3-7H,2,8H2,1H3,(H2,15,16,17)