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

Systemtic Name: 7-cyclopentyl-1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-cyclopentyl-1-(2-morpholino-2-oxo-ethyl)purine-2,6-dione CAS Name: 7-cyclopentyl-1-[2-(4-morpholinyl)-2-oxoethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-cyclopentyl-1-(2-morpholin-4-yl-2-oxoethyl)purine-2,6-dione Traditional Name: 3-benzyl-7-cyclopentyl-1-(2-keto-2-morpholino-ethyl)xanthine Formula: C23H27N5O4 MolecularWeight: 437.49158

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC(=O)N5CCOCC5

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC(=O)N5CCOCC5

InChI

InChI=1S/C23H27N5O4/c29-19(25-10-12-32-13-11-25)15-27-22(30)20-21(24-16-28(20)18-8-4-5-9-18)26(23(27)31)14-17-6-2-1-3-7-17/h1-3,6-7,16,18H,4-5,8-15H2