6-ethylsulfanyl-2-(4-methylsulfonylphenyl)-N-(phenylmethyl)pyrimidin-4-amine

Systemtic Name: 6-ethylsulfanyl-2-(4-methylsulfonylphenyl)-N-(phenylmethyl)pyrimidin-4-amine Openeye Name: N-benzyl-6-ethylsulfanyl-2-(4-methylsulfonylphenyl)pyrimidin-4-amine CAS Name: 6-(ethylthio)-2-(4-methylsulfonylphenyl)-N-(phenylmethyl)-4-pyrimidinamine IUPAC Name: N-benzyl-6-ethylsulfanyl-2-(4-methylsulfonylphenyl)pyrimidin-4-amine Traditional Name: benzyl-[6-(ethylthio)-2-(4-mesylphenyl)pyrimidin-4-yl]amine Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=NC(=C1)NCC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCSC1=NC(=NC(=C1)NCC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H21N3O2S2/c1-3-26-19-13-18(21-14-15-7-5-4-6-8-15)22-20(23-19)16-9-11-17(12-10-16)27(2,24)25/h4-13H,3,14H2,1-2H3,(H,21,22,23)