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

Systemtic Name: 7-(3-methylbutyl)-1-(2-oxidanylidenepropyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 1-acetonyl-3-benzyl-7-isopentyl-purine-2,6-dione CAS Name: 7-(3-methylbutyl)-1-(2-oxopropyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(3-methylbutyl)-1-(2-oxopropyl)purine-2,6-dione Traditional Name: 1-acetonyl-3-benzyl-7-isoamyl-xanthine Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O3/c1-14(2)9-10-22-13-21-18-17(22)19(26)24(11-15(3)25)20(27)23(18)12-16-7-5-4-6-8-16/h4-8,13-14H,9-12H2,1-3H3