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

Systemtic Name: 8-cyclopentyl-3-(3-morpholin-4-yl-3-oxidanylidene-propyl)-7-(phenylmethyl)-1-propyl-purine-2,6-dione Openeye Name: 7-benzyl-8-cyclopentyl-3-(3-morpholino-3-oxo-propyl)-1-propyl-purine-2,6-dione CAS Name: 8-cyclopentyl-3-[3-(4-morpholinyl)-3-oxopropyl]-7-(phenylmethyl)-1-propylpurine-2,6-dione IUPAC Name: 7-benzyl-8-cyclopentyl-3-(3-morpholin-4-yl-3-oxopropyl)-1-propylpurine-2,6-dione Traditional Name: 7-benzyl-8-cyclopentyl-3-(3-keto-3-morpholino-propyl)-1-propyl-xanthine Formula: C27H35N5O4 MolecularWeight: 493.5979

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C4CCCC4)N(C1=O)CCC(=O)N5CCOCC5

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C4CCCC4)N(C1=O)CCC(=O)N5CCOCC5

InChI

InChI=1S/C27H35N5O4/c1-2-13-31-26(34)23-25(30(27(31)35)14-12-22(33)29-15-17-36-18-16-29)28-24(21-10-6-7-11-21)32(23)19-20-8-4-3-5-9-20/h3-5,8-9,21H,2,6-7,10-19H2,1H3