ethyl 4-azanyl-2-butylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-butylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-butylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-(butylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-butylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-(butylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C11H17N3O2S MolecularWeight: 255.33658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC=C(C(=N1)N)C(=O)OCC

Isomeric SMILES

CCCCSC1=NC=C(C(=N1)N)C(=O)OCC

InChI

InChI=1S/C11H17N3O2S/c1-3-5-6-17-11-13-7-8(9(12)14-11)10(15)16-4-2/h7H,3-6H2,1-2H3,(H2,12,13,14)