ethyl 4-azanyl-2-[2-[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethoxy]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethoxy]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[2-[(1-cyanocyclohexyl)amino]-2-oxo-ethoxy]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-[2-[(1-cyanocyclohexyl)amino]-2-keto-ethoxy]-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H23N5O5S MolecularWeight: 421.47072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)OCC(=O)NC2(CCCCC2)C#N

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)OCC(=O)NC2(CCCCC2)C#N

InChI

InChI=1S/C18H23N5O5S/c1-2-27-16(26)12-8-21-17(22-15(12)20)29-10-14(25)28-9-13(24)23-18(11-19)6-4-3-5-7-18/h8H,2-7,9-10H2,1H3,(H,23,24)(H2,20,21,22)