5-[3-[2-tert-butyl-4-(4-chlorophenyl)phenoxy]propoxy]-6-methyl-pyrimidine-2,4-diamine hydrate

Systemtic Name: 5-[3-[2-tert-butyl-4-(4-chlorophenyl)phenoxy]propoxy]-6-methyl-pyrimidine-2,4-diamine hydrate Openeye Name: 5-[3-[2-tert-butyl-4-(4-chlorophenyl)phenoxy]propoxy]-6-methyl-pyrimidine-2,4-diamine hydrate CAS Name: 5-[3-[2-tert-butyl-4-(4-chlorophenyl)phenoxy]propoxy]-6-methylpyrimidine-2,4-diamine hydrate IUPAC Name: 5-[3-[2-tert-butyl-4-(4-chlorophenyl)phenoxy]propoxy]-6-methylpyrimidine-2,4-diamine hydrate Traditional Name: [2-amino-5-[3-[2-tert-butyl-4-(4-chlorophenyl)phenoxy]propoxy]-6-methyl-pyrimidin-4-yl]amine hydrate Formula: C24H31ClN4O3 MolecularWeight: 458.98094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N)N)OCCCOC2=C(C=C(C=C2)C3=CC=C(C=C3)Cl)C(C)(C)C.O

Isomeric SMILES

CC1=C(C(=NC(=N1)N)N)OCCCOC2=C(C=C(C=C2)C3=CC=C(C=C3)Cl)C(C)(C)C.O

InChI

InChI=1S/C24H29ClN4O2.H2O/c1-15-21(22(26)29-23(27)28-15)31-13-5-12-30-20-11-8-17(14-19(20)24(2,3)4)16-6-9-18(25)10-7-16;/h6-11,14H,5,12-13H2,1-4H3,(H4,26,27,28,29);1H2