6-[[3,5-bis(bromanyl)-4-oxidanyl-phenyl]methylamino]-7,9-dihydropurin-8-one

Systemtic Name: 6-[[3,5-bis(bromanyl)-4-oxidanyl-phenyl]methylamino]-7,9-dihydropurin-8-one Openeye Name: 6-[(3,5-dibromo-4-hydroxy-phenyl)methylamino]-7,9-dihydropurin-8-one CAS Name: 6-[(3,5-dibromo-4-hydroxyphenyl)methylamino]-7,9-dihydropurin-8-one IUPAC Name: 6-[(3,5-dibromo-4-hydroxyphenyl)methylamino]-7,9-dihydropurin-8-one Traditional Name: 6-[(3,5-dibromo-4-hydroxy-benzyl)amino]-7,9-dihydropurin-8-one Formula: C12H9Br2N5O2 MolecularWeight: 415.04016

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Br)O)Br)CNC2=NC=NC3=C2NC(=O)N3

Isomeric SMILES

C1=C(C=C(C(=C1Br)O)Br)CNC2=NC=NC3=C2NC(=O)N3

InChI

InChI=1S/C12H9Br2N5O2/c13-6-1-5(2-7(14)9(6)20)3-15-10-8-11(17-4-16-10)19-12(21)18-8/h1-2,4,20H,3H2,(H3,15,16,17,18,19,21)