8-ethyl-3-(4-methoxy-2-methyl-pyridin-3-yl)-1-methyl-7-(phenylmethoxymethyl)purine-2,6-dione

Systemtic Name: 8-ethyl-3-(4-methoxy-2-methyl-pyridin-3-yl)-1-methyl-7-(phenylmethoxymethyl)purine-2,6-dione Openeye Name: 7-(benzyloxymethyl)-8-ethyl-3-(4-methoxy-2-methyl-3-pyridyl)-1-methyl-purine-2,6-dione CAS Name: 8-ethyl-3-(4-methoxy-2-methyl-3-pyridinyl)-1-methyl-7-(phenylmethoxymethyl)purine-2,6-dione IUPAC Name: 8-ethyl-3-(4-methoxy-2-methylpyridin-3-yl)-1-methyl-7-(phenylmethoxymethyl)purine-2,6-dione Traditional Name: 7-(benzoxymethyl)-8-ethyl-3-(4-methoxy-2-methyl-3-pyridyl)-1-methyl-xanthine Formula: C23H25N5O4 MolecularWeight: 435.4757

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1COCC3=CC=CC=C3)C(=O)N(C(=O)N2C4=C(C=CN=C4C)OC)C

Isomeric SMILES

CCC1=NC2=C(N1COCC3=CC=CC=C3)C(=O)N(C(=O)N2C4=C(C=CN=C4C)OC)C

InChI

InChI=1S/C23H25N5O4/c1-5-18-25-21-20(27(18)14-32-13-16-9-7-6-8-10-16)22(29)26(3)23(30)28(21)19-15(2)24-12-11-17(19)31-4/h6-12H,5,13-14H2,1-4H3