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

Systemtic Name: 8-cyclopentyl-3-(2-methoxyethyl)-7-(phenylmethyl)-1-propyl-purine-2,6-dione Openeye Name: 7-benzyl-8-cyclopentyl-3-(2-methoxyethyl)-1-propyl-purine-2,6-dione CAS Name: 8-cyclopentyl-3-(2-methoxyethyl)-7-(phenylmethyl)-1-propylpurine-2,6-dione IUPAC Name: 7-benzyl-8-cyclopentyl-3-(2-methoxyethyl)-1-propylpurine-2,6-dione Traditional Name: 7-benzyl-8-cyclopentyl-3-(2-methoxyethyl)-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)CCOC

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O3/c1-3-13-26-22(28)19-21(25(23(26)29)14-15-30-2)24-20(18-11-7-8-12-18)27(19)16-17-9-5-4-6-10-17/h4-6,9-10,18H,3,7-8,11-16H2,1-2H3