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

Systemtic Name: 5-(3-chlorophenyl)sulfanyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Openeye Name: 5-(3-chlorophenyl)sulfanyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine CAS Name: 5-[(3-chlorophenyl)thio]-6-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine IUPAC Name: 5-(3-chlorophenyl)sulfanyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[(3-chlorophenyl)thio]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C13H12ClN5S MolecularWeight: 305.78588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)N=C(N=C2N)N)SC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(C2=C(N1)N=C(N=C2N)N)SC3=CC(=CC=C3)Cl

InChI

InChI=1S/C13H12ClN5S/c1-6-10(20-8-4-2-3-7(14)5-8)9-11(15)18-13(16)19-12(9)17-6/h2-5H,1H3,(H5,15,16,17,18,19)