4-[5-(2,5-dihydropyrrol-1-ylsulfonyl)thiophen-2-yl]-N-(3,4-dimethoxyphenyl)pyrimidin-2-amine

Systemtic Name: 4-[5-(2,5-dihydropyrrol-1-ylsulfonyl)thiophen-2-yl]-N-(3,4-dimethoxyphenyl)pyrimidin-2-amine Openeye Name: 4-[5-(2,5-dihydropyrrol-1-ylsulfonyl)-2-thienyl]-N-(3,4-dimethoxyphenyl)pyrimidin-2-amine CAS Name: 4-[5-(2,5-dihydropyrrol-1-ylsulfonyl)-2-thiophenyl]-N-(3,4-dimethoxyphenyl)-2-pyrimidinamine IUPAC Name: 4-[5-(2,5-dihydropyrrol-1-ylsulfonyl)thiophen-2-yl]-N-(3,4-dimethoxyphenyl)pyrimidin-2-amine Traditional Name: (3,4-dimethoxyphenyl)-[4-[5-(3-pyrrolin-1-ylsulfonyl)-2-thienyl]pyrimidin-2-yl]amine Formula: C20H20N4O4S2 MolecularWeight: 444.5272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC=CC(=N2)C3=CC=C(S3)S(=O)(=O)N4CC=CC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC=CC(=N2)C3=CC=C(S3)S(=O)(=O)N4CC=CC4)OC

InChI

InChI=1S/C20H20N4O4S2/c1-27-16-6-5-14(13-17(16)28-2)22-20-21-10-9-15(23-20)18-7-8-19(29-18)30(25,26)24-11-3-4-12-24/h3-10,13H,11-12H2,1-2H3,(H,21,22,23)