ethyl 4-azanyl-2-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(cyclopentylamino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(cyclopentylamino)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(cyclopentylamino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(cyclopentylamino)-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C14H20N4O3S MolecularWeight: 324.3986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2CCCC2

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2CCCC2

InChI

InChI=1S/C14H20N4O3S/c1-2-21-13(20)10-7-16-14(18-12(10)15)22-8-11(19)17-9-5-3-4-6-9/h7,9H,2-6,8H2,1H3,(H,17,19)(H2,15,16,18)