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

Systemtic Name: 7-[(3-bromophenyl)methyl]-3-methyl-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 7-[(3-bromophenyl)methyl]-3-methyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 7-[(3-bromophenyl)methyl]-3-methyl-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 7-[(3-bromophenyl)methyl]-3-methyl-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 7-(3-bromobenzyl)-3-methyl-8-piperidino-xanthine Formula: C18H20BrN5O2 MolecularWeight: 418.2877

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CC4=CC(=CC=C4)Br

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C18H20BrN5O2/c1-22-15-14(16(25)21-18(22)26)24(11-12-6-5-7-13(19)10-12)17(20-15)23-8-3-2-4-9-23/h5-7,10H,2-4,8-9,11H2,1H3,(H,21,25,26)