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

Systemtic Name: 1-[2-(methylamino)-4-[(3-methylphenyl)amino]pyrimidin-5-yl]sulfonyl-3-propan-2-yl-urea Openeye Name: 1-isopropyl-3-[2-(methylamino)-4-(3-methylanilino)pyrimidin-5-yl]sulfonyl-urea CAS Name: 1-[[2-(methylamino)-4-(3-methylanilino)-5-pyrimidinyl]sulfonyl]-3-propan-2-ylurea IUPAC Name: 1-[2-(methylamino)-4-(3-methylanilino)pyrimidin-5-yl]sulfonyl-3-propan-2-ylurea Traditional Name: 1-isopropyl-3-[2-(methylamino)-4-(m-toluidino)pyrimidin-5-yl]sulfonyl-urea Formula: C16H22N6O3S MolecularWeight: 378.44928

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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)NC

Isomeric SMILES

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

InChI

InChI=1S/C16H22N6O3S/c1-10(2)19-16(23)22-26(24,25)13-9-18-15(17-4)21-14(13)20-12-7-5-6-11(3)8-12/h5-10H,1-4H3,(H2,19,22,23)(H2,17,18,20,21)