1-(2-bromanyl-4-methyl-phenyl)-3-cyano-2-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]guanidine

Systemtic Name: 1-(2-bromanyl-4-methyl-phenyl)-3-cyano-2-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]guanidine Openeye Name: 1-(2-bromo-4-methyl-phenyl)-3-cyano-2-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]guanidine CAS Name: 1-(2-bromo-4-methylphenyl)-3-cyano-2-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]guanidine IUPAC Name: 1-(2-bromo-4-methylphenyl)-3-cyano-2-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]guanidine Traditional Name: 1-(2-bromo-4-methyl-phenyl)-3-cyano-2-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]guanidine Formula: C21H23BrN4O2 MolecularWeight: 443.33692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=NC2COC(OC2C3=CC=CC=C3)(C)C)NC#N)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=N[C@H]2COC(O[C@H]2C3=CC=CC=C3)(C)C)NC#N)Br

InChI

InChI=1S/C21H23BrN4O2/c1-14-9-10-17(16(22)11-14)25-20(24-13-23)26-18-12-27-21(2,3)28-19(18)15-7-5-4-6-8-15/h4-11,18-19H,12H2,1-3H3,(H2,24,25,26)/t18-,19-/m0/s1