5-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine

Systemtic Name: 5-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine Openeye Name: 5-[(6-chloro-1,3-benzodioxol-5-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine CAS Name: 5-[(6-chloro-1,3-benzodioxol-5-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine IUPAC Name: 5-[(6-chloro-1,3-benzodioxol-5-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[(6-chloro-1,3-benzodioxol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amine Formula: C14H12ClN5O2 MolecularWeight: 317.73038

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CN3C=CC4=C3C(=NC(=N4)N)N)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CN3C=CC4=C3C(=NC(=N4)N)N)Cl

InChI

InChI=1S/C14H12ClN5O2/c15-8-4-11-10(21-6-22-11)3-7(8)5-20-2-1-9-12(20)13(16)19-14(17)18-9/h1-4H,5-6H2,(H4,16,17,18,19)