potassium 7-(3-methylbutyl)-3-(phenylmethyl)purin-1-ide-2,6-dione

Systemtic Name: potassium 7-(3-methylbutyl)-3-(phenylmethyl)purin-1-ide-2,6-dione Openeye Name: potassium 3-benzyl-7-isopentyl-purin-1-ide-2,6-dione CAS Name: potassium 7-(3-methylbutyl)-3-(phenylmethyl)purin-1-ide-2,6-dione IUPAC Name: potassium 3-benzyl-7-(3-methylbutyl)purin-1-ide-2,6-dione Traditional Name: potassium 3-benzyl-7-isoamyl-purin-1-ide-2,6-quinone Formula: C17H19KN4O2 MolecularWeight: 350.45666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=NC2=C1C(=O)[N-]C(=O)N2CC3=CC=CC=C3.[K+]

Isomeric SMILES

CC(C)CCN1C=NC2=C1C(=O)[N-]C(=O)N2CC3=CC=CC=C3.[K+]

InChI

InChI=1S/C17H20N4O2.K/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);/q;+1/p-1