6-ethylsulfinyl-2-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine

Systemtic Name: 6-ethylsulfinyl-2-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine Openeye Name: 6-ethylsulfinyl-2-(4-methylsulfonylphenyl)-N-(2-thienylmethyl)pyrimidin-4-amine CAS Name: 6-ethylsulfinyl-2-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-4-pyrimidinamine IUPAC Name: 6-ethylsulfinyl-2-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine Traditional Name: [6-ethylsulfinyl-2-(4-mesylphenyl)pyrimidin-4-yl]-(2-thenyl)amine Formula: C18H19N3O3S3 MolecularWeight: 421.55676

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)C1=NC(=NC(=C1)NCC2=CC=CS2)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCS(=O)C1=NC(=NC(=C1)NCC2=CC=CS2)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H19N3O3S3/c1-3-26(22)17-11-16(19-12-14-5-4-10-25-14)20-18(21-17)13-6-8-15(9-7-13)27(2,23)24/h4-11H,3,12H2,1-2H3,(H,19,20,21)