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

Systemtic Name: 7-(2-oxidanylidenepropyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 7-acetonyl-3-benzyl-purine-2,6-dione CAS Name: 7-(2-oxopropyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(2-oxopropyl)purine-2,6-dione Traditional Name: 7-acetonyl-3-benzyl-xanthine Formula: C15H14N4O3 MolecularWeight: 298.29666

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

CC(=O)CN1C=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C15H14N4O3/c1-10(20)7-18-9-16-13-12(18)14(21)17-15(22)19(13)8-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,17,21,22)