5-[[[3,5-bis(chloranyl)phenyl]amino]methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

Systemtic Name: 5-[[[3,5-bis(chloranyl)phenyl]amino]methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Openeye Name: 5-[(3,5-dichloroanilino)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine CAS Name: 5-[(3,5-dichloroanilino)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine IUPAC Name: 5-[(3,5-dichloroanilino)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Traditional Name: (2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl-(3,5-dichlorophenyl)amine Formula: C13H12Cl2N6 MolecularWeight: 323.18058

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1Cl)Cl)NCC2=CNC3=C2C(=NC(=N3)N)N

Isomeric SMILES

C1=C(C=C(C=C1Cl)Cl)NCC2=CNC3=C2C(=NC(=N3)N)N

InChI

InChI=1S/C13H12Cl2N6/c14-7-1-8(15)3-9(2-7)18-4-6-5-19-12-10(6)11(16)20-13(17)21-12/h1-3,5,18H,4H2,(H5,16,17,19,20,21)