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

Systemtic Name: 5-[(3,4-dichlorophenyl)sulfanylmethyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Openeye Name: 5-[(3,4-dichlorophenyl)sulfanylmethyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine CAS Name: 5-[[(3,4-dichlorophenyl)thio]methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine IUPAC Name: 5-[(3,4-dichlorophenyl)sulfanylmethyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[[(3,4-dichlorophenyl)thio]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C13H11Cl2N5S MolecularWeight: 340.23094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SCC2=CNC3=C2C(=NC(=N3)N)N)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1SCC2=CNC3=C2C(=NC(=N3)N)N)Cl)Cl

InChI

InChI=1S/C13H11Cl2N5S/c14-8-2-1-7(3-9(8)15)21-5-6-4-18-12-10(6)11(16)19-13(17)20-12/h1-4H,5H2,(H5,16,17,18,19,20)