3-[4-[2,6-bis(dimethylamino)pyridin-4-yl]sulfanylphenyl]-1-hex-5-ynyl-1-methyl-urea

Systemtic Name: 3-[4-[2,6-bis(dimethylamino)pyridin-4-yl]sulfanylphenyl]-1-hex-5-ynyl-1-methyl-urea Openeye Name: 3-[4-[[2,6-bis(dimethylamino)-4-pyridyl]sulfanyl]phenyl]-1-hex-5-ynyl-1-methyl-urea CAS Name: 3-[4-[[2,6-bis(dimethylamino)-4-pyridinyl]thio]phenyl]-1-hex-5-ynyl-1-methylurea IUPAC Name: 3-[4-[2,6-bis(dimethylamino)pyridin-4-yl]sulfanylphenyl]-1-hex-5-ynyl-1-methylurea Traditional Name: 3-[4-[[2,6-bis(dimethylamino)-4-pyridyl]thio]phenyl]-1-hex-5-ynyl-1-methyl-urea Formula: C23H31N5OS MolecularWeight: 425.59014

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=CC(=N1)N(C)C)SC2=CC=C(C=C2)NC(=O)N(C)CCCCC#C

Isomeric SMILES

CN(C)C1=CC(=CC(=N1)N(C)C)SC2=CC=C(C=C2)NC(=O)N(C)CCCCC#C

InChI

InChI=1S/C23H31N5OS/c1-7-8-9-10-15-28(6)23(29)24-18-11-13-19(14-12-18)30-20-16-21(26(2)3)25-22(17-20)27(4)5/h1,11-14,16-17H,8-10,15H2,2-6H3,(H,24,29)