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

Systemtic Name: 7-(2-methylpropyl)-1-(2-oxidanylidenepropyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 1-acetonyl-3-benzyl-7-isobutyl-purine-2,6-dione CAS Name: 7-(2-methylpropyl)-1-(2-oxopropyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(2-methylpropyl)-1-(2-oxopropyl)purine-2,6-dione Traditional Name: 1-acetonyl-3-benzyl-7-isobutyl-xanthine Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)C

Isomeric SMILES

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)C

InChI

InChI=1S/C19H22N4O3/c1-13(2)9-21-12-20-17-16(21)18(25)23(10-14(3)24)19(26)22(17)11-15-7-5-4-6-8-15/h4-8,12-13H,9-11H2,1-3H3