N-[[3,5-bis(bromanyl)-4-methoxy-phenyl]methyl]-7H-purin-6-amine

Systemtic Name: N-[[3,5-bis(bromanyl)-4-methoxy-phenyl]methyl]-7H-purin-6-amine Openeye Name: N-[(3,5-dibromo-4-methoxy-phenyl)methyl]-7H-purin-6-amine CAS Name: N-[(3,5-dibromo-4-methoxyphenyl)methyl]-7H-purin-6-amine IUPAC Name: N-[(3,5-dibromo-4-methoxyphenyl)methyl]-7H-purin-6-amine Traditional Name: (3,5-dibromo-4-methoxy-benzyl)-(7H-purin-6-yl)amine Formula: C13H11Br2N5O MolecularWeight: 413.06734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Br)CNC2=NC=NC3=C2NC=N3)Br

Isomeric SMILES

COC1=C(C=C(C=C1Br)CNC2=NC=NC3=C2NC=N3)Br

InChI

InChI=1S/C13H11Br2N5O/c1-21-11-8(14)2-7(3-9(11)15)4-16-12-10-13(18-5-17-10)20-6-19-12/h2-3,5-6H,4H2,1H3,(H2,16,17,18,19,20)