7-[(2,5-dimethylphenyl)methyl]-8-[(dipropylamino)methyl]-3-methyl-purine-2,6-dione

Systemtic Name: 7-[(2,5-dimethylphenyl)methyl]-8-[(dipropylamino)methyl]-3-methyl-purine-2,6-dione Openeye Name: 7-[(2,5-dimethylphenyl)methyl]-8-[(dipropylamino)methyl]-3-methyl-purine-2,6-dione CAS Name: 7-[(2,5-dimethylphenyl)methyl]-8-[(dipropylamino)methyl]-3-methylpurine-2,6-dione IUPAC Name: 7-[(2,5-dimethylphenyl)methyl]-8-[(dipropylamino)methyl]-3-methylpurine-2,6-dione Traditional Name: 7-(2,5-dimethylbenzyl)-8-[(dipropylamino)methyl]-3-methyl-xanthine Formula: C22H31N5O2 MolecularWeight: 397.51384

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)CC1=NC2=C(N1CC3=C(C=CC(=C3)C)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCN(CCC)CC1=NC2=C(N1CC3=C(C=CC(=C3)C)C)C(=O)NC(=O)N2C

InChI

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