ethyl 4-methyl-2-[[6-[2-(1-methylpyrrolidin-2-yl)ethylamino]-9-[(4-methylsulfonylphenyl)methyl]purin-2-yl]amino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[[6-[2-(1-methylpyrrolidin-2-yl)ethylamino]-9-[(4-methylsulfonylphenyl)methyl]purin-2-yl]amino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[[6-[2-(1-methylpyrrolidin-2-yl)ethylamino]-9-[(4-methylsulfonylphenyl)methyl]purin-2-yl]amino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[6-[2-(1-methyl-2-pyrrolidinyl)ethylamino]-9-[(4-methylsulfonylphenyl)methyl]-2-purinyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[6-[2-(1-methylpyrrolidin-2-yl)ethylamino]-9-[(4-methylsulfonylphenyl)methyl]purin-2-yl]amino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[[9-(4-mesylbenzyl)-6-[2-(1-methylpyrrolidin-2-yl)ethylamino]purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C27H34N8O4S2 MolecularWeight: 598.74006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC2=NC3=C(C(=N2)NCCC4CCCN4C)N=CN3CC5=CC=C(C=C5)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC2=NC3=C(C(=N2)NCCC4CCCN4C)N=CN3CC5=CC=C(C=C5)S(=O)(=O)C)C

InChI

InChI=1S/C27H34N8O4S2/c1-5-39-25(36)22-17(2)30-27(40-22)33-26-31-23(28-13-12-19-7-6-14-34(19)3)21-24(32-26)35(16-29-21)15-18-8-10-20(11-9-18)41(4,37)38/h8-11,16,19H,5-7,12-15H2,1-4H3,(H2,28,30,31,32,33)