1-[4-[(3-methylphenyl)amino]-2-methylsulfinyl-pyrimidin-5-yl]sulfonyl-3-propan-2-yl-urea

Systemtic Name: 1-[4-[(3-methylphenyl)amino]-2-methylsulfinyl-pyrimidin-5-yl]sulfonyl-3-propan-2-yl-urea Openeye Name: 1-isopropyl-3-[4-(3-methylanilino)-2-methylsulfinyl-pyrimidin-5-yl]sulfonyl-urea CAS Name: 1-[[4-(3-methylanilino)-2-methylsulfinyl-5-pyrimidinyl]sulfonyl]-3-propan-2-ylurea IUPAC Name: 1-[4-(3-methylanilino)-2-methylsulfinylpyrimidin-5-yl]sulfonyl-3-propan-2-ylurea Traditional Name: 1-isopropyl-3-[2-methylsulfinyl-4-(m-toluidino)pyrimidin-5-yl]sulfonyl-urea Formula: C16H21N5O4S2 MolecularWeight: 411.49904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC(=NC=C2S(=O)(=O)NC(=O)NC(C)C)S(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC(=NC=C2S(=O)(=O)NC(=O)NC(C)C)S(=O)C

InChI

InChI=1S/C16H21N5O4S2/c1-10(2)18-15(22)21-27(24,25)13-9-17-16(26(4)23)20-14(13)19-12-7-5-6-11(3)8-12/h5-10H,1-4H3,(H,17,19,20)(H2,18,21,22)