2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrimidine-4,6-diamine

Systemtic Name: 2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrimidine-4,6-diamine Openeye Name: 2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrimidine-4,6-diamine CAS Name: 2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylthio]pyrimidine-4,6-diamine IUPAC Name: 2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrimidine-4,6-diamine Traditional Name: [6-amino-2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylthio]pyrimidin-4-yl]amine Formula: C15H16N6O3S MolecularWeight: 360.39094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(=N2)CSC3=NC(=CC(=N3)N)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(=N2)CSC3=NC(=CC(=N3)N)N)OC

InChI

InChI=1S/C15H16N6O3S/c1-22-9-4-3-8(5-10(9)23-2)14-20-13(24-21-14)7-25-15-18-11(16)6-12(17)19-15/h3-6H,7H2,1-2H3,(H4,16,17,18,19)