8-cyclopentyl-3-(3-morpholin-4-ylpropyl)-7-(phenylmethyl)-1-propyl-purine-2,6-dione

Systemtic Name: 8-cyclopentyl-3-(3-morpholin-4-ylpropyl)-7-(phenylmethyl)-1-propyl-purine-2,6-dione Openeye Name: 7-benzyl-8-cyclopentyl-3-(3-morpholinopropyl)-1-propyl-purine-2,6-dione CAS Name: 8-cyclopentyl-3-[3-(4-morpholinyl)propyl]-7-(phenylmethyl)-1-propylpurine-2,6-dione IUPAC Name: 7-benzyl-8-cyclopentyl-3-(3-morpholin-4-ylpropyl)-1-propylpurine-2,6-dione Traditional Name: 7-benzyl-8-cyclopentyl-3-(3-morpholinopropyl)-1-propyl-xanthine Formula: C27H37N5O3 MolecularWeight: 479.61438

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C4CCCC4)N(C1=O)CCCN5CCOCC5

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C4CCCC4)N(C1=O)CCCN5CCOCC5

InChI

InChI=1S/C27H37N5O3/c1-2-13-31-26(33)23-25(30(27(31)34)15-8-14-29-16-18-35-19-17-29)28-24(22-11-6-7-12-22)32(23)20-21-9-4-3-5-10-21/h3-5,9-10,22H,2,6-8,11-20H2,1H3