1-butyl-3-[1-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]urea

Systemtic Name: 1-butyl-3-[1-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]urea Openeye Name: 1-butyl-3-[1-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]urea CAS Name: 1-butyl-3-[1-methyl-2-[[(4-methyl-2-pyrimidinyl)thio]methyl]-5-benzimidazolyl]urea IUPAC Name: 1-butyl-3-[1-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]urea Traditional Name: 1-butyl-3-[1-methyl-2-[[(4-methylpyrimidin-2-yl)thio]methyl]benzimidazol-5-yl]urea Formula: C19H24N6OS MolecularWeight: 384.49846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=CC2=C(C=C1)N(C(=N2)CSC3=NC=CC(=N3)C)C

Isomeric SMILES

CCCCNC(=O)NC1=CC2=C(C=C1)N(C(=N2)CSC3=NC=CC(=N3)C)C

InChI

InChI=1S/C19H24N6OS/c1-4-5-9-20-18(26)23-14-6-7-16-15(11-14)24-17(25(16)3)12-27-19-21-10-8-13(2)22-19/h6-8,10-11H,4-5,9,12H2,1-3H3,(H2,20,23,26)