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

Systemtic Name: 1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(3-methylbutylamino)purine-2,6-dione Openeye Name: 1-[(4-bromophenyl)methyl]-8-(isopentylamino)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(3-methylbutylamino)purine-2,6-dione IUPAC Name: 1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(3-methylbutylamino)purine-2,6-dione Traditional Name: 1-(4-bromobenzyl)-8-(isoamylamino)-3,7-dimethyl-xanthine Formula: C19H24BrN5O2 MolecularWeight: 434.33016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)CCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H24BrN5O2/c1-12(2)9-10-21-18-22-16-15(23(18)3)17(26)25(19(27)24(16)4)11-13-5-7-14(20)8-6-13/h5-8,12H,9-11H2,1-4H3,(H,21,22)