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

Systemtic Name: potassium 7-(2-methylpropyl)-3-(phenylmethyl)purin-1-ide-2,6-dione Openeye Name: potassium 3-benzyl-7-isobutyl-purin-1-ide-2,6-dione CAS Name: potassium 7-(2-methylpropyl)-3-(phenylmethyl)purin-1-ide-2,6-dione IUPAC Name: potassium 3-benzyl-7-(2-methylpropyl)purin-1-ide-2,6-dione Traditional Name: potassium 3-benzyl-7-isobutyl-purin-1-ide-2,6-quinone Formula: C16H17KN4O2 MolecularWeight: 336.43008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=NC2=C1C(=O)[N-]C(=O)N2CC3=CC=CC=C3.[K+]

Isomeric SMILES

CC(C)CN1C=NC2=C1C(=O)[N-]C(=O)N2CC3=CC=CC=C3.[K+]

InChI

InChI=1S/C16H18N4O2.K/c1-11(2)8-19-10-17-14-13(19)15(21)18-16(22)20(14)9-12-6-4-3-5-7-12;/h3-7,10-11H,8-9H2,1-2H3,(H,18,21,22);/q;+1/p-1