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

Systemtic Name: 1-[4-[(3-methylphenyl)amino]-2-methylsulfanyl-pyrimidin-5-yl]sulfonyl-3-propan-2-yl-urea Openeye Name: 1-isopropyl-3-[4-(3-methylanilino)-2-methylsulfanyl-pyrimidin-5-yl]sulfonyl-urea CAS Name: 1-[[4-(3-methylanilino)-2-(methylthio)-5-pyrimidinyl]sulfonyl]-3-propan-2-ylurea IUPAC Name: 1-[4-(3-methylanilino)-2-methylsulfanylpyrimidin-5-yl]sulfonyl-3-propan-2-ylurea Traditional Name: 1-isopropyl-3-[2-(methylthio)-4-(m-toluidino)pyrimidin-5-yl]sulfonyl-urea Formula: C16H21N5O3S2 MolecularWeight: 395.49964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O3S2/c1-10(2)18-15(22)21-26(23,24)13-9-17-16(25-4)20-14(13)19-12-7-5-6-11(3)8-12/h5-10H,1-4H3,(H,17,19,20)(H2,18,21,22)