7-(2-methoxyethyl)-1-(2-oxidanylidenepropyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-1-(2-oxidanylidenepropyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 1-acetonyl-3-benzyl-7-(2-methoxyethyl)purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-1-(2-oxopropyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(2-methoxyethyl)-1-(2-oxopropyl)purine-2,6-dione Traditional Name: 1-acetonyl-3-benzyl-7-(2-methoxyethyl)xanthine Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C(=O)C2=C(N=CN2CCOC)N(C1=O)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)CN1C(=O)C2=C(N=CN2CCOC)N(C1=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H20N4O4/c1-13(23)10-22-17(24)15-16(19-12-20(15)8-9-26-2)21(18(22)25)11-14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3