N-[4-(imidazol-1-ylmethyl)phenyl]-7-(4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine

Systemtic Name: N-[4-(imidazol-1-ylmethyl)phenyl]-7-(4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine Openeye Name: N-[4-(imidazol-1-ylmethyl)phenyl]-7-(4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine CAS Name: N-[4-(1-imidazolylmethyl)phenyl]-7-(4-methylsulfonylphenyl)-2-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: N-[4-(imidazol-1-ylmethyl)phenyl]-7-(4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine Traditional Name: [4-(imidazol-1-ylmethyl)phenyl]-[7-(4-mesylphenyl)pyrrolo[2,3-d]pyrimidin-2-yl]amine Formula: C23H20N6O2S MolecularWeight: 444.5089

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N2C=CC3=CN=C(N=C32)NC4=CC=C(C=C4)CN5C=CN=C5

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2C=CC3=CN=C(N=C32)NC4=CC=C(C=C4)CN5C=CN=C5

InChI

InChI=1S/C23H20N6O2S/c1-32(30,31)21-8-6-20(7-9-21)29-12-10-18-14-25-23(27-22(18)29)26-19-4-2-17(3-5-19)15-28-13-11-24-16-28/h2-14,16H,15H2,1H3,(H,25,26,27)