4-[4-azanyl-7-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-5-yl]-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 4-[4-azanyl-7-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-5-yl]-N,N-dimethyl-benzenesulfonamide Openeye Name: 4-[4-amino-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-5-yl]-N,N-dimethyl-benzenesulfonamide CAS Name: 4-[4-amino-7-(4-methylphenyl)-5-pyrrolo[2,3-d]pyrimidinyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 4-[4-amino-7-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-5-yl]-N,N-dimethylbenzenesulfonamide Traditional Name: 4-[4-amino-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-5-yl]-N,N-dimethyl-benzenesulfonamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)S(=O)(=O)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)S(=O)(=O)N(C)C

InChI

InChI=1S/C21H21N5O2S/c1-14-4-8-16(9-5-14)26-12-18(19-20(22)23-13-24-21(19)26)15-6-10-17(11-7-15)29(27,28)25(2)3/h4-13H,1-3H3,(H2,22,23,24)