7-(2-methoxyethyl)-1-[2-oxidanyl-3-(2-prop-2-enylphenoxy)propyl]-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-1-[2-oxidanyl-3-(2-prop-2-enylphenoxy)propyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 1-[3-(2-allylphenoxy)-2-hydroxy-propyl]-3-benzyl-7-(2-methoxyethyl)purine-2,6-dione CAS Name: 1-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-7-(2-methoxyethyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-1-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-7-(2-methoxyethyl)purine-2,6-dione Traditional Name: 1-[3-(2-allylphenoxy)-2-hydroxy-propyl]-3-benzyl-7-(2-methoxyethyl)xanthine Formula: C27H30N4O5 MolecularWeight: 490.5509

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(COC4=CC=CC=C4CC=C)O

Isomeric SMILES

COCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(COC4=CC=CC=C4CC=C)O

InChI

InChI=1S/C27H30N4O5/c1-3-9-21-12-7-8-13-23(21)36-18-22(32)17-31-26(33)24-25(28-19-29(24)14-15-35-2)30(27(31)34)16-20-10-5-4-6-11-20/h3-8,10-13,19,22,32H,1,9,14-18H2,2H3