methyl 5-azanyl-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-4-piperidin-1-yl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 5-azanyl-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-4-piperidin-1-yl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 5-amino-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-4-(1-piperidyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-4-(1-piperidinyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-2-[(2-keto-2-piperidino-ethyl)thio]-4-piperidino-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C20H27N5O3S2 MolecularWeight: 449.59008

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(N=C(N=C2S1)SCC(=O)N3CCCCC3)N4CCCCC4)N

Isomeric SMILES

COC(=O)C1=C(C2=C(N=C(N=C2S1)SCC(=O)N3CCCCC3)N4CCCCC4)N

InChI

InChI=1S/C20H27N5O3S2/c1-28-19(27)16-15(21)14-17(25-10-6-3-7-11-25)22-20(23-18(14)30-16)29-12-13(26)24-8-4-2-5-9-24/h2-12,21H2,1H3