N-(1,3-benzodioxol-5-yl)-7-(4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine

Systemtic Name: N-(1,3-benzodioxol-5-yl)-7-(4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-7-(4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine CAS Name: N-(1,3-benzodioxol-5-yl)-7-(4-methylsulfonylphenyl)-2-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-7-(4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine Traditional Name: 1,3-benzodioxol-5-yl-[7-(4-mesylphenyl)pyrrolo[2,3-d]pyrimidin-2-yl]amine Formula: C20H16N4O4S MolecularWeight: 408.43044

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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=CC5=C(C=C4)OCO5

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2C=CC3=CN=C(N=C32)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H16N4O4S/c1-29(25,26)16-5-3-15(4-6-16)24-9-8-13-11-21-20(23-19(13)24)22-14-2-7-17-18(10-14)28-12-27-17/h2-11H,12H2,1H3,(H,21,22,23)