1-[(4-methyl-6-methylsulfonyl-pyridazin-3-yl)amino]-3-[3-(3-methylphenoxy)propyl]urea

Systemtic Name: 1-[(4-methyl-6-methylsulfonyl-pyridazin-3-yl)amino]-3-[3-(3-methylphenoxy)propyl]urea Openeye Name: 1-[(4-methyl-6-methylsulfonyl-pyridazin-3-yl)amino]-3-[3-(3-methylphenoxy)propyl]urea CAS Name: 1-[(4-methyl-6-methylsulfonyl-3-pyridazinyl)amino]-3-[3-(3-methylphenoxy)propyl]urea IUPAC Name: 1-[(4-methyl-6-methylsulfonylpyridazin-3-yl)amino]-3-[3-(3-methylphenoxy)propyl]urea Traditional Name: 1-[(6-mesyl-4-methyl-pyridazin-3-yl)amino]-3-[3-(3-methylphenoxy)propyl]urea Formula: C17H23N5O4S MolecularWeight: 393.46062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCNC(=O)NNC2=NN=C(C=C2C)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)OCCCNC(=O)NNC2=NN=C(C=C2C)S(=O)(=O)C

InChI

InChI=1S/C17H23N5O4S/c1-12-6-4-7-14(10-12)26-9-5-8-18-17(23)22-21-16-13(2)11-15(19-20-16)27(3,24)25/h4,6-7,10-11H,5,8-9H2,1-3H3,(H,20,21)(H2,18,22,23)