8-bromanyl-3-methyl-7-[2-[(phenylmethyl)amino]ethyl]purine-2,6-dione

Systemtic Name: 8-bromanyl-3-methyl-7-[2-[(phenylmethyl)amino]ethyl]purine-2,6-dione Openeye Name: 7-[2-(benzylamino)ethyl]-8-bromo-3-methyl-purine-2,6-dione CAS Name: 8-bromo-3-methyl-7-[2-[(phenylmethyl)amino]ethyl]purine-2,6-dione IUPAC Name: 7-[2-(benzylamino)ethyl]-8-bromo-3-methylpurine-2,6-dione Traditional Name: 7-[2-(benzylamino)ethyl]-8-bromo-3-methyl-xanthine Formula: C15H16BrN5O2 MolecularWeight: 378.22384

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCNCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCNCC3=CC=CC=C3

InChI

InChI=1S/C15H16BrN5O2/c1-20-12-11(13(22)19-15(20)23)21(14(16)18-12)8-7-17-9-10-5-3-2-4-6-10/h2-6,17H,7-9H2,1H3,(H,19,22,23)