6-(3,4-dichlorophenyl)sulfanyl-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

Systemtic Name: 6-(3,4-dichlorophenyl)sulfanyl-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Openeye Name: 6-(3,4-dichlorophenyl)sulfanyl-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine CAS Name: 6-[(3,4-dichlorophenyl)thio]-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine IUPAC Name: 6-(3,4-dichlorophenyl)sulfanyl-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Traditional Name: [2-amino-6-[(3,4-dichlorophenyl)thio]-5-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:

CC1=C(NC2=C1C(=NC(=N2)N)N)SC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=C(NC2=C1C(=NC(=N2)N)N)SC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C13H11Cl2N5S/c1-5-9-10(16)18-13(17)20-11(9)19-12(5)21-6-2-3-7(14)8(15)4-6/h2-4H,1H3,(H5,16,17,18,19,20)