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

Systemtic Name: 8-cyclopentyl-7-(methoxymethyl)-3-(phenylmethyl)-1-propyl-purine-2,6-dione Openeye Name: 3-benzyl-8-cyclopentyl-7-(methoxymethyl)-1-propyl-purine-2,6-dione CAS Name: 8-cyclopentyl-7-(methoxymethyl)-3-(phenylmethyl)-1-propylpurine-2,6-dione IUPAC Name: 3-benzyl-8-cyclopentyl-7-(methoxymethyl)-1-propylpurine-2,6-dione Traditional Name: 3-benzyl-8-cyclopentyl-7-(methoxymethyl)-1-propyl-xanthine Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2COC)C3CCCC3)N(C1=O)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2COC)C3CCCC3)N(C1=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H28N4O3/c1-3-13-24-21(27)18-20(25(22(24)28)14-16-9-5-4-6-10-16)23-19(26(18)15-29-2)17-11-7-8-12-17/h4-6,9-10,17H,3,7-8,11-15H2,1-2H3