ethyl 4-azanyl-2-[3-(cyclohexylamino)-3-oxidanylidene-propyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[3-(cyclohexylamino)-3-oxidanylidene-propyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[3-(cyclohexylamino)-3-oxo-propyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[3-(cyclohexylamino)-3-oxopropyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[3-(cyclohexylamino)-3-oxopropyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[3-(cyclohexylamino)-3-keto-propyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C16H24N4O3S MolecularWeight: 352.45176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCCC(=O)NC2CCCCC2

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCCC(=O)NC2CCCCC2

InChI

InChI=1S/C16H24N4O3S/c1-2-23-15(22)12-10-18-16(20-14(12)17)24-9-8-13(21)19-11-6-4-3-5-7-11/h10-11H,2-9H2,1H3,(H,19,21)(H2,17,18,20)