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

Systemtic Name: 7-(3-methylbutyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-isopentyl-purine-2,6-dione CAS Name: 7-(3-methylbutyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 3-benzyl-7-isoamyl-xanthine Formula: C17H20N4O2 MolecularWeight: 312.3663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O2/c1-12(2)8-9-20-11-18-15-14(20)16(22)19-17(23)21(15)10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3,(H,19,22,23)