8-cyclopentyl-3-(3-oxidanylpropyl)-7-(phenylmethyl)-1-propyl-purine-2,6-dione

Systemtic Name: 8-cyclopentyl-3-(3-oxidanylpropyl)-7-(phenylmethyl)-1-propyl-purine-2,6-dione Openeye Name: 7-benzyl-8-cyclopentyl-3-(3-hydroxypropyl)-1-propyl-purine-2,6-dione CAS Name: 8-cyclopentyl-3-(3-hydroxypropyl)-7-(phenylmethyl)-1-propylpurine-2,6-dione IUPAC Name: 7-benzyl-8-cyclopentyl-3-(3-hydroxypropyl)-1-propylpurine-2,6-dione Traditional Name: 7-benzyl-8-cyclopentyl-3-(3-hydroxypropyl)-1-propyl-xanthine Formula: C23H30N4O3 MolecularWeight: 410.5093

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C4CCCC4)N(C1=O)CCCO

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C4CCCC4)N(C1=O)CCCO

InChI

InChI=1S/C23H30N4O3/c1-2-13-26-22(29)19-21(25(23(26)30)14-8-15-28)24-20(18-11-6-7-12-18)27(19)16-17-9-4-3-5-10-17/h3-5,9-10,18,28H,2,6-8,11-16H2,1H3