2-azanyl-7,9-bis[(3,4-dichlorophenyl)methyl]-3,8-dihydropurin-6-one bromide

Systemtic Name: 2-azanyl-7,9-bis[(3,4-dichlorophenyl)methyl]-3,8-dihydropurin-6-one bromide Openeye Name: 2-amino-7,9-bis[(3,4-dichlorophenyl)methyl]-3,8-dihydropurin-6-one bromide CAS Name: 2-amino-7,9-bis[(3,4-dichlorophenyl)methyl]-3,8-dihydropurin-6-one bromide IUPAC Name: 2-amino-7,9-bis[(3,4-dichlorophenyl)methyl]-3,8-dihydropurin-6-one bromide Traditional Name: 2-amino-7,9-bis(3,4-dichlorobenzyl)-3,8-dihydropurin-6-one bromide Formula: C19H15BrCl4N5O- MolecularWeight: 551.0713

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Descriptors Computed from Structure

Canonical SMILES:

C1N(C2=C(N1CC3=CC(=C(C=C3)Cl)Cl)NC(=NC2=O)N)CC4=CC(=C(C=C4)Cl)Cl.[Br-]

Isomeric SMILES

C1N(C2=C(N1CC3=CC(=C(C=C3)Cl)Cl)NC(=NC2=O)N)CC4=CC(=C(C=C4)Cl)Cl.[Br-]

InChI

InChI=1S/C19H15Cl4N5O.BrH/c20-12-3-1-10(5-14(12)22)7-27-9-28(8-11-2-4-13(21)15(23)6-11)17-16(27)18(29)26-19(24)25-17;/h1-6H,7-9H2,(H3,24,25,26,29);1H/p-1