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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC(=CC=C3)Br

Isomeric SMILES

CCCCCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C19H24BrN5O2/c1-4-5-6-10-21-18-22-16-15(23(18)2)17(26)25(19(27)24(16)3)12-13-8-7-9-14(20)11-13/h7-9,11H,4-6,10,12H2,1-3H3,(H,21,22)