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

Systemtic Name: 7-ethyl-1-(2-oxidanylidenepropyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 1-acetonyl-3-benzyl-7-ethyl-purine-2,6-dione CAS Name: 7-ethyl-1-(2-oxopropyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-ethyl-1-(2-oxopropyl)purine-2,6-dione Traditional Name: 1-acetonyl-3-benzyl-7-ethyl-xanthine Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)C

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)C

InChI

InChI=1S/C17H18N4O3/c1-3-19-11-18-15-14(19)16(23)21(9-12(2)22)17(24)20(15)10-13-7-5-4-6-8-13/h4-8,11H,3,9-10H2,1-2H3