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

Systemtic Name: ethyl 4-azanyl-5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)carbonyloxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-5-methyl-2-[(1-methylsulfonylpiperidine-4-carbonyl)oxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-5-methyl-2-[[(1-methylsulfonyl-4-piperidinyl)-oxomethoxy]methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-5-methyl-2-[(1-methylsulfonylpiperidine-4-carbonyl)oxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-2-[(1-mesylisonipecotoyl)oxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H24N4O6S2 MolecularWeight: 456.53636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)C3CCN(CC3)S(=O)(=O)C)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)C3CCN(CC3)S(=O)(=O)C)N)C

InChI

InChI=1S/C18H24N4O6S2/c1-4-27-18(24)14-10(2)13-15(19)20-12(21-16(13)29-14)9-28-17(23)11-5-7-22(8-6-11)30(3,25)26/h11H,4-9H2,1-3H3,(H2,19,20,21)