1-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea

Systemtic Name: 1-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea Openeye Name: 1-[(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)amino]-3-[1-(3-isopropenylphenyl)-1-methyl-ethyl]urea CAS Name: 1-[[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]amino]-3-[2-[3-(1-methylethenyl)phenyl]propan-2-yl]urea IUPAC Name: 1-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea Traditional Name: 1-[[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]amino]-3-[1-(3-isopropenylphenyl)-1-methyl-ethyl]urea Formula: C19H22ClN5O2S MolecularWeight: 419.92828

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)NNC(=O)C2=NC(=NC=C2Cl)SC

Isomeric SMILES

CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)NNC(=O)C2=NC(=NC=C2Cl)SC

InChI

InChI=1S/C19H22ClN5O2S/c1-11(2)12-7-6-8-13(9-12)19(3,4)23-17(27)25-24-16(26)15-14(20)10-21-18(22-15)28-5/h6-10H,1H2,2-5H3,(H,24,26)(H2,23,25,27)