8-(dipentylamino)-3-methyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(dipentylamino)-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-(dipentylamino)-3-methyl-purine-2,6-dione CAS Name: 8-(dipentylamino)-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-(dipentylamino)-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-8-(diamylamino)-3-methyl-xanthine Formula: C23H33N5O2 MolecularWeight: 411.54042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCN(CCCCC)C1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C23H33N5O2/c1-4-6-11-15-27(16-12-7-5-2)22-24-20-19(21(29)25-23(30)26(20)3)28(22)17-18-13-9-8-10-14-18/h8-10,13-14H,4-7,11-12,15-17H2,1-3H3,(H,25,29,30)