N-(4,6-dimethylpyrimidin-2-yl)-N'-(4-methylphenyl)sulfonyl-morpholine-4-carboximidamide

Systemtic Name: N-(4,6-dimethylpyrimidin-2-yl)-N'-(4-methylphenyl)sulfonyl-morpholine-4-carboximidamide Openeye Name: N-(4,6-dimethylpyrimidin-2-yl)-N'-(p-tolylsulfonyl)morpholine-4-carboxamidine CAS Name: N-(4,6-dimethyl-2-pyrimidinyl)-N'-(4-methylphenyl)sulfonyl-4-morpholinecarboximidamide IUPAC Name: N-(4,6-dimethylpyrimidin-2-yl)-N'-(4-methylphenyl)sulfonylmorpholine-4-carboximidamide Traditional Name: N-(4,6-dimethylpyrimidin-2-yl)-N'-tosyl-morpholine-4-carboxamidine Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C(NC2=NC(=CC(=N2)C)C)N3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C(/NC2=NC(=CC(=N2)C)C)\N3CCOCC3

InChI

InChI=1S/C18H23N5O3S/c1-13-4-6-16(7-5-13)27(24,25)22-18(23-8-10-26-11-9-23)21-17-19-14(2)12-15(3)20-17/h4-7,12H,8-11H2,1-3H3,(H,19,20,21,22)