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ethyl 2-azanyl-5-cyano-6-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxylate

ethyl 2-azanyl-5-cyano-6-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxylate

Systemtic Name:ethyl 2-azanyl-5-cyano-6-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxylate
Openeye Name:ethyl 2-amino-5-cyano-6-[2-(cyclopentylamino)-2-oxo-ethyl]sulfanyl-pyridine-3-carboxylate
CAS Name:2-amino-5-cyano-6-[[2-(cyclopentylamino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid ethyl ester
IUPAC Name:ethyl 2-amino-5-cyano-6-[2-(cyclopentylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate
Traditional Name:2-amino-5-cyano-6-[[2-(cyclopentylamino)-2-keto-ethyl]thio]nicotinic acid ethyl ester
Formula: C16H20N4O3S
MolecularWeight: 348.42
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NC2CCCC2)N


Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NC2CCCC2)N


InChI

InChI=1S/C16H20N4O3S/c1-2-23-16(22)12-7-10(8-17)15(20-14(12)18)24-9-13(21)19-11-5-3-4-6-11/h7,11H,2-6,9H2,1H3,(H2,18,20)(H,19,21)


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