7-cyclopentyl-3-(phenylmethyl)-1-[(1-propyl-1,2,3,4-tetrazol-5-yl)methyl]purine-2,6-dione

Systemtic Name: 7-cyclopentyl-3-(phenylmethyl)-1-[(1-propyl-1,2,3,4-tetrazol-5-yl)methyl]purine-2,6-dione Openeye Name: 3-benzyl-7-cyclopentyl-1-[(1-propyltetrazol-5-yl)methyl]purine-2,6-dione CAS Name: 7-cyclopentyl-3-(phenylmethyl)-1-[(1-propyl-5-tetrazolyl)methyl]purine-2,6-dione IUPAC Name: 3-benzyl-7-cyclopentyl-1-[(1-propyltetrazol-5-yl)methyl]purine-2,6-dione Traditional Name: 3-benzyl-7-cyclopentyl-1-[(1-propyltetrazol-5-yl)methyl]xanthine Formula: C22H26N8O2 MolecularWeight: 434.49424

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)CN2C(=O)C3=C(N=CN3C4CCCC4)N(C2=O)CC5=CC=CC=C5

Isomeric SMILES

CCCN1C(=NN=N1)CN2C(=O)C3=C(N=CN3C4CCCC4)N(C2=O)CC5=CC=CC=C5

InChI

InChI=1S/C22H26N8O2/c1-2-12-30-18(24-25-26-30)14-28-21(31)19-20(23-15-29(19)17-10-6-7-11-17)27(22(28)32)13-16-8-4-3-5-9-16/h3-5,8-9,15,17H,2,6-7,10-14H2,1H3