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

Systemtic Name: 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(4-oxidanylbutan-2-ylamino)purine-2,6-dione Openeye Name: 7-[(3-bromophenyl)methyl]-8-[(3-hydroxy-1-methyl-propyl)amino]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(3-bromophenyl)methyl]-8-(4-hydroxybutan-2-ylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(3-bromophenyl)methyl]-8-(4-hydroxybutan-2-ylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(3-bromobenzyl)-8-[(3-hydroxy-1-methyl-propyl)amino]-1,3-dimethyl-xanthine Formula: C18H22BrN5O3 MolecularWeight: 436.30298

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCO)NC1=NC2=C(N1CC3=CC(=CC=C3)Br)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(CCO)NC1=NC2=C(N1CC3=CC(=CC=C3)Br)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C18H22BrN5O3/c1-11(7-8-25)20-17-21-15-14(16(26)23(3)18(27)22(15)2)24(17)10-12-5-4-6-13(19)9-12/h4-6,9,11,25H,7-8,10H2,1-3H3,(H,20,21)