8-(2-azanylethylamino)-1-[(4-bromophenyl)methyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 8-(2-azanylethylamino)-1-[(4-bromophenyl)methyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-(2-aminoethylamino)-1-[(4-bromophenyl)methyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(2-aminoethylamino)-1-[(4-bromophenyl)methyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-(2-aminoethylamino)-1-[(4-bromophenyl)methyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 8-(2-aminoethylamino)-1-(4-bromobenzyl)-3,7-dimethyl-xanthine Formula: C16H19BrN6O2 MolecularWeight: 407.26506

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCCN)N(C(=O)N(C2=O)CC3=CC=C(C=C3)Br)C

Isomeric SMILES

CN1C2=C(N=C1NCCN)N(C(=O)N(C2=O)CC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C16H19BrN6O2/c1-21-12-13(20-15(21)19-8-7-18)22(2)16(25)23(14(12)24)9-10-3-5-11(17)6-4-10/h3-6H,7-9,18H2,1-2H3,(H,19,20)