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

Systemtic Name: 1,3-bis(1-methoxyethyl)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-1,3-bis(1-methoxyethyl)purine-2,6-dione CAS Name: 1,3-bis(1-methoxyethyl)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1,3-bis(1-methoxyethyl)purine-2,6-dione Traditional Name: 7-benzyl-1,3-bis(1-methoxyethyl)xanthine Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1C2=C(C(=O)N(C1=O)C(C)OC)N(C=N2)CC3=CC=CC=C3)OC

Isomeric SMILES

CC(N1C2=C(C(=O)N(C1=O)C(C)OC)N(C=N2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C18H22N4O4/c1-12(25-3)21-16-15(17(23)22(18(21)24)13(2)26-4)20(11-19-16)10-14-8-6-5-7-9-14/h5-9,11-13H,10H2,1-4H3