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

Systemtic Name: ethyl 4-azanyl-2-[2-(dicyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(dicyclohexylamino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(dicyclohexylamino)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(dicyclohexylamino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(dicyclohexylamino)-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C21H32N4O3S MolecularWeight: 420.56878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N(C2CCCCC2)C3CCCCC3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N(C2CCCCC2)C3CCCCC3

InChI

InChI=1S/C21H32N4O3S/c1-2-28-20(27)17-13-23-21(24-19(17)22)29-14-18(26)25(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h13,15-16H,2-12,14H2,1H3,(H2,22,23,24)