1,3-diethyl-8-[(2-oxidanylcyclopentyl)amino]-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1,3-diethyl-8-[(2-oxidanylcyclopentyl)amino]-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-1,3-diethyl-8-[(2-hydroxycyclopentyl)amino]purine-2,6-dione CAS Name: 1,3-diethyl-8-[(2-hydroxycyclopentyl)amino]-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1,3-diethyl-8-[(2-hydroxycyclopentyl)amino]purine-2,6-dione Traditional Name: 7-benzyl-1,3-diethyl-8-[(2-hydroxycyclopentyl)amino]xanthine Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)NC3CCCC3O)CC4=CC=CC=C4

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)NC3CCCC3O)CC4=CC=CC=C4

InChI

InChI=1S/C21H27N5O3/c1-3-24-18-17(19(28)25(4-2)21(24)29)26(13-14-9-6-5-7-10-14)20(23-18)22-15-11-8-12-16(15)27/h5-7,9-10,15-16,27H,3-4,8,11-13H2,1-2H3,(H,22,23)