5-[[3-(2,2-diethoxyethylsulfanyl)-4,5-dimethoxy-phenyl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[3-(2,2-diethoxyethylsulfanyl)-4,5-dimethoxy-phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[3-(2,2-diethoxyethylsulfanyl)-4,5-dimethoxy-phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[3-(2,2-diethoxyethylthio)-4,5-dimethoxyphenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[3-(2,2-diethoxyethylsulfanyl)-4,5-dimethoxyphenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3-(2,2-diethoxyethylthio)-4,5-dimethoxy-benzyl]pyrimidin-4-yl]amine Formula: C19H28N4O4S MolecularWeight: 408.51502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CSC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N)OCC

Isomeric SMILES

CCOC(CSC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N)OCC

InChI

InChI=1S/C19H28N4O4S/c1-5-26-16(27-6-2)11-28-15-9-12(8-14(24-3)17(15)25-4)7-13-10-22-19(21)23-18(13)20/h8-10,16H,5-7,11H2,1-4H3,(H4,20,21,22,23)