1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-7-ethyl-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-7-ethyl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-7-ethyl-purine-2,6-dione CAS Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-7-ethyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-7-ethylpurine-2,6-dione Traditional Name: 3-benzyl-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-7-ethyl-xanthine Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C25H25N5O3/c1-2-27-17-26-23-22(27)24(32)30(25(33)29(23)14-18-8-4-3-5-9-18)16-21(31)28-13-12-19-10-6-7-11-20(19)15-28/h3-11,17H,2,12-16H2,1H3