N4-[2-(4-methoxyphenyl)ethyl]-7-methylsulfonyl-N2-prop-2-enyl-pyrrolo[2,3-d]pyrimidine-2,4-diamine

Systemtic Name: N4-[2-(4-methoxyphenyl)ethyl]-7-methylsulfonyl-N2-prop-2-enyl-pyrrolo[2,3-d]pyrimidine-2,4-diamine Openeye Name: N2-allyl-N4-[2-(4-methoxyphenyl)ethyl]-7-methylsulfonyl-pyrrolo[2,3-d]pyrimidine-2,4-diamine CAS Name: N4-[2-(4-methoxyphenyl)ethyl]-7-methylsulfonyl-N2-prop-2-enylpyrrolo[2,3-d]pyrimidine-2,4-diamine IUPAC Name: 4-N-[2-(4-methoxyphenyl)ethyl]-7-methylsulfonyl-2-N-prop-2-enylpyrrolo[2,3-d]pyrimidine-2,4-diamine Traditional Name: allyl-[7-mesyl-4-[2-(4-methoxyphenyl)ethylamino]pyrrolo[2,3-d]pyrimidin-2-yl]amine Formula: C19H23N5O3S MolecularWeight: 401.48262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC2=NC(=NC3=C2C=CN3S(=O)(=O)C)NCC=C

Isomeric SMILES

COC1=CC=C(C=C1)CCNC2=NC(=NC3=C2C=CN3S(=O)(=O)C)NCC=C

InChI

InChI=1S/C19H23N5O3S/c1-4-11-21-19-22-17(16-10-13-24(18(16)23-19)28(3,25)26)20-12-9-14-5-7-15(27-2)8-6-14/h4-8,10,13H,1,9,11-12H2,2-3H3,(H2,20,21,22,23)