5-[(3,4-dimethoxyphenyl)sulfanylmethyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

Systemtic Name: 5-[(3,4-dimethoxyphenyl)sulfanylmethyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Openeye Name: 5-[(3,4-dimethoxyphenyl)sulfanylmethyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine CAS Name: 5-[[(3,4-dimethoxyphenyl)thio]methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine IUPAC Name: 5-[(3,4-dimethoxyphenyl)sulfanylmethyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[[(3,4-dimethoxyphenyl)thio]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C15H17N5O2S MolecularWeight: 331.39278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SCC2=CNC3=C2C(=NC(=N3)N)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)SCC2=CNC3=C2C(=NC(=N3)N)N)OC

InChI

InChI=1S/C15H17N5O2S/c1-21-10-4-3-9(5-11(10)22-2)23-7-8-6-18-14-12(8)13(16)19-15(17)20-14/h3-6H,7H2,1-2H3,(H5,16,17,18,19,20)