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

Systemtic Name: 3-cyclopropyl-1-(2-methoxyethyl)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-3-cyclopropyl-1-(2-methoxyethyl)purine-2,6-dione CAS Name: 3-cyclopropyl-1-(2-methoxyethyl)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-3-cyclopropyl-1-(2-methoxyethyl)purine-2,6-dione Traditional Name: 7-benzyl-3-cyclopropyl-1-(2-methoxyethyl)xanthine Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N(C1=O)C4CC4

Isomeric SMILES

COCCN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N(C1=O)C4CC4

InChI

InChI=1S/C18H20N4O3/c1-25-10-9-21-17(23)15-16(22(18(21)24)14-7-8-14)19-12-20(15)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3