1-(aminomethyl)-8-[(4-bromophenyl)methyl]-3-(2-methylpropyl)-7H-purine-2,6-dione

Systemtic Name: 1-(aminomethyl)-8-[(4-bromophenyl)methyl]-3-(2-methylpropyl)-7H-purine-2,6-dione Openeye Name: 1-(aminomethyl)-8-[(4-bromophenyl)methyl]-3-isobutyl-7H-purine-2,6-dione CAS Name: 1-(aminomethyl)-8-[(4-bromophenyl)methyl]-3-(2-methylpropyl)-7H-purine-2,6-dione IUPAC Name: 1-(aminomethyl)-8-[(4-bromophenyl)methyl]-3-(2-methylpropyl)-7H-purine-2,6-dione Traditional Name: 1-(aminomethyl)-8-(4-bromobenzyl)-3-isobutyl-7H-purine-2,6-quinone Formula: C17H20BrN5O2 MolecularWeight: 406.277

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)CN)NC(=N2)CC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)CN)NC(=N2)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H20BrN5O2/c1-10(2)8-22-15-14(16(24)23(9-19)17(22)25)20-13(21-15)7-11-3-5-12(18)6-4-11/h3-6,10H,7-9,19H2,1-2H3,(H,20,21)