1-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-3-[(4,6-dimethylpyrimidin-2-yl)amino]thiourea

Systemtic Name: 1-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-3-[(4,6-dimethylpyrimidin-2-yl)amino]thiourea Openeye Name: 1-(2-chloro-5-morpholinosulfonyl-phenyl)-3-[(4,6-dimethylpyrimidin-2-yl)amino]thiourea CAS Name: 1-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-3-[(4,6-dimethyl-2-pyrimidinyl)amino]thiourea IUPAC Name: 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[(4,6-dimethylpyrimidin-2-yl)amino]thiourea Traditional Name: 1-(2-chloro-5-morpholinosulfonyl-phenyl)-3-[(4,6-dimethylpyrimidin-2-yl)amino]thiourea Formula: C17H21ClN6O3S2 MolecularWeight: 456.97004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NNC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)NNC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl)C

InChI

InChI=1S/C17H21ClN6O3S2/c1-11-9-12(2)20-16(19-11)22-23-17(28)21-15-10-13(3-4-14(15)18)29(25,26)24-5-7-27-8-6-24/h3-4,9-10H,5-8H2,1-2H3,(H,19,20,22)(H2,21,23,28)