2-azanyl-8-(phenylcarbonyl)-7-(phenylmethyl)-3,7-dihydropurin-7-ium-6-one bromide

Systemtic Name: 2-azanyl-8-(phenylcarbonyl)-7-(phenylmethyl)-3,7-dihydropurin-7-ium-6-one bromide Openeye Name: 2-amino-8-benzoyl-7-benzyl-3,7-dihydropurin-7-ium-6-one bromide CAS Name: 2-amino-8-benzoyl-7-(phenylmethyl)-3,7-dihydropurin-7-ium-6-one bromide IUPAC Name: 2-amino-8-benzoyl-7-benzyl-3,7-dihydropurin-7-ium-6-one bromide Traditional Name: 2-amino-8-benzoyl-7-benzyl-3,7-dihydropurin-7-ium-6-one bromide Formula: C19H16BrN5O2 MolecularWeight: 426.26664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH+]2C3=C(NC(=NC3=O)N)N=C2C(=O)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C[NH+]2C3=C(NC(=NC3=O)N)N=C2C(=O)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C19H15N5O2.BrH/c20-19-22-16-14(18(26)23-19)24(11-12-7-3-1-4-8-12)17(21-16)15(25)13-9-5-2-6-10-13;/h1-10H,11H2,(H3,20,22,23,26);1H