7-(2-diethylaminoethyl)-1,3-dimethyl-8-(phenoxymethyl)purine-2,6-dione

Systemtic Name: 7-(2-diethylaminoethyl)-1,3-dimethyl-8-(phenoxymethyl)purine-2,6-dione Openeye Name: 7-(2-diethylaminoethyl)-1,3-dimethyl-8-(phenoxymethyl)purine-2,6-dione CAS Name: 7-(2-diethylaminoethyl)-1,3-dimethyl-8-(phenoxymethyl)purine-2,6-dione IUPAC Name: 7-(2-diethylaminoethyl)-1,3-dimethyl-8-(phenoxymethyl)purine-2,6-dione Traditional Name: 7-(2-diethylaminoethyl)-1,3-dimethyl-8-(phenoxymethyl)xanthine Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)COC3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)COC3=CC=CC=C3

InChI

InChI=1S/C20H27N5O3/c1-5-24(6-2)12-13-25-16(14-28-15-10-8-7-9-11-15)21-18-17(25)19(26)23(4)20(27)22(18)3/h7-11H,5-6,12-14H2,1-4H3