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

Systemtic Name: 1-[(4-bromophenyl)methyl]-8-[2-(ethylamino)ethylamino]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[(4-bromophenyl)methyl]-8-[2-(ethylamino)ethylamino]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(4-bromophenyl)methyl]-8-[2-(ethylamino)ethylamino]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[(4-bromophenyl)methyl]-8-[2-(ethylamino)ethylamino]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(4-bromobenzyl)-8-[2-(ethylamino)ethylamino]-3,7-dimethyl-xanthine Formula: C18H23BrN6O2 MolecularWeight: 435.31822

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Descriptors Computed from Structure

Canonical SMILES:

CCNCCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=C(C=C3)Br

Isomeric SMILES

CCNCCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H23BrN6O2/c1-4-20-9-10-21-17-22-15-14(23(17)2)16(26)25(18(27)24(15)3)11-12-5-7-13(19)8-6-12/h5-8,20H,4,9-11H2,1-3H3,(H,21,22)