N-(2,6-dimethylphenyl)-2-ethylsulfonyl-5-[furan-2-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]pyrimidine-4-carboxamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-ethylsulfonyl-5-[furan-2-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]pyrimidine-4-carboxamide Openeye Name: N-(2,6-dimethylphenyl)-2-ethylsulfonyl-5-[2-furylmethyl-[(3-methyl-2-thienyl)methyl]amino]pyrimidine-4-carboxamide CAS Name: N-(2,6-dimethylphenyl)-2-ethylsulfonyl-5-[2-furanylmethyl-[(3-methyl-2-thiophenyl)methyl]amino]-4-pyrimidinecarboxamide IUPAC Name: N-(2,6-dimethylphenyl)-2-ethylsulfonyl-5-[furan-2-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]pyrimidine-4-carboxamide Traditional Name: N-(2,6-dimethylphenyl)-2-esyl-5-[2-furfuryl-[(3-methyl-2-thienyl)methyl]amino]pyrimidine-4-carboxamide Formula: C26H28N4O4S2 MolecularWeight: 524.65492

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=C(C=CC=C2C)C)N(CC3=CC=CO3)CC4=C(C=CS4)C

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=C(C=CC=C2C)C)N(CC3=CC=CO3)CC4=C(C=CS4)C

InChI

InChI=1S/C26H28N4O4S2/c1-5-36(32,33)26-27-14-21(24(29-26)25(31)28-23-18(3)8-6-9-19(23)4)30(15-20-10-7-12-34-20)16-22-17(2)11-13-35-22/h6-14H,5,15-16H2,1-4H3,(H,28,31)