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

Systemtic Name: 8-cyclopentyl-3-(3-methoxypropyl)-7-(phenylmethyl)-1-propyl-purine-2,6-dione Openeye Name: 7-benzyl-8-cyclopentyl-3-(3-methoxypropyl)-1-propyl-purine-2,6-dione CAS Name: 8-cyclopentyl-3-(3-methoxypropyl)-7-(phenylmethyl)-1-propylpurine-2,6-dione IUPAC Name: 7-benzyl-8-cyclopentyl-3-(3-methoxypropyl)-1-propylpurine-2,6-dione Traditional Name: 7-benzyl-8-cyclopentyl-3-(3-methoxypropyl)-1-propyl-xanthine Formula: C24H32N4O3 MolecularWeight: 424.53588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N4O3/c1-3-14-27-23(29)20-22(26(24(27)30)15-9-16-31-2)25-21(19-12-7-8-13-19)28(20)17-18-10-5-4-6-11-18/h4-6,10-11,19H,3,7-9,12-17H2,1-2H3