8-[ethyl-(phenylmethyl)amino]-7-(2-hydroxyethyl)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-[ethyl-(phenylmethyl)amino]-7-(2-hydroxyethyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[benzyl(ethyl)amino]-7-(2-hydroxyethyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[ethyl-(phenylmethyl)amino]-7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[benzyl(ethyl)amino]-7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[benzyl(ethyl)amino]-7-(2-hydroxyethyl)-1,3-dimethyl-xanthine Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C2=NC3=C(N2CCO)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCN(CC1=CC=CC=C1)C2=NC3=C(N2CCO)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C18H23N5O3/c1-4-22(12-13-8-6-5-7-9-13)17-19-15-14(23(17)10-11-24)16(25)21(3)18(26)20(15)2/h5-9,24H,4,10-12H2,1-3H3