1-[3-[(4-tert-butylphenyl)methyl-methyl-amino]propyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[3-[(4-tert-butylphenyl)methyl-methyl-amino]propyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-[(4-tert-butylphenyl)methyl-methyl-amino]propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[(4-tert-butylphenyl)methyl-methylamino]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-[(4-tert-butylphenyl)methyl-methylamino]propyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-[(4-tert-butylbenzyl)-methyl-amino]propyl]-3,7-dimethyl-xanthine Formula: C22H31N5O2 MolecularWeight: 397.51384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN(C)CCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(C)CCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

InChI

InChI=1S/C22H31N5O2/c1-22(2,3)17-10-8-16(9-11-17)14-24(4)12-7-13-27-20(28)18-19(23-15-25(18)5)26(6)21(27)29/h8-11,15H,7,12-14H2,1-6H3