ethyl 4-azanyl-2-(3-phenylpropylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-(3-phenylpropylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-(3-phenylpropylsulfanyl)pyrimidine-5-carboxylate CAS Name: 4-amino-2-(3-phenylpropylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(3-phenylpropylsulfanyl)pyrimidine-5-carboxylate Traditional Name: 4-amino-2-(3-phenylpropylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCCCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCCCC2=CC=CC=C2

InChI

InChI=1S/C16H19N3O2S/c1-2-21-15(20)13-11-18-16(19-14(13)17)22-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11H,2,6,9-10H2,1H3,(H2,17,18,19)