3-butyl-2-(butylamino)-6-(3-methylphenyl)-5-methylsulfonyl-pyrimidine-4-thione

Systemtic Name: 3-butyl-2-(butylamino)-6-(3-methylphenyl)-5-methylsulfonyl-pyrimidine-4-thione Openeye Name: 3-butyl-2-(butylamino)-5-methylsulfonyl-6-(m-tolyl)pyrimidine-4-thione CAS Name: 3-butyl-2-(butylamino)-6-(3-methylphenyl)-5-methylsulfonyl-4-pyrimidinethione IUPAC Name: 3-butyl-2-(butylamino)-6-(3-methylphenyl)-5-methylsulfonylpyrimidine-4-thione Traditional Name: 3-butyl-2-(butylamino)-5-mesyl-6-(m-tolyl)pyrimidine-4-thione Formula: C20H29N3O2S2 MolecularWeight: 407.59316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=C(C(=S)N1CCCC)S(=O)(=O)C)C2=CC(=CC=C2)C

Isomeric SMILES

CCCCNC1=NC(=C(C(=S)N1CCCC)S(=O)(=O)C)C2=CC(=CC=C2)C

InChI

InChI=1S/C20H29N3O2S2/c1-5-7-12-21-20-22-17(16-11-9-10-15(3)14-16)18(27(4,24)25)19(26)23(20)13-8-6-2/h9-11,14H,5-8,12-13H2,1-4H3,(H,21,22)