7-(3-methylphenyl)-5-(4-methylsulfonylphenyl)-N-(oxan-4-yl)pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: 7-(3-methylphenyl)-5-(4-methylsulfonylphenyl)-N-(oxan-4-yl)pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 5-(4-methylsulfonylphenyl)-7-(m-tolyl)-N-tetrahydropyran-4-yl-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 7-(3-methylphenyl)-5-(4-methylsulfonylphenyl)-N-(4-oxanyl)-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 7-(3-methylphenyl)-5-(4-methylsulfonylphenyl)-N-(oxan-4-yl)pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [5-(4-mesylphenyl)-7-(m-tolyl)pyrrolo[2,3-d]pyrimidin-4-yl]-tetrahydropyran-4-yl-amine Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=C(C3=C2N=CN=C3NC4CCOCC4)C5=CC=C(C=C5)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C=C(C3=C2N=CN=C3NC4CCOCC4)C5=CC=C(C=C5)S(=O)(=O)C

InChI

InChI=1S/C25H26N4O3S/c1-17-4-3-5-20(14-17)29-15-22(18-6-8-21(9-7-18)33(2,30)31)23-24(26-16-27-25(23)29)28-19-10-12-32-13-11-19/h3-9,14-16,19H,10-13H2,1-2H3,(H,26,27,28)