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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)[N-]C1=O)N(C=N2)CC3=CC=CC=C3.[K+]

Isomeric SMILES

CCCCN1C2=C(C(=O)[N-]C1=O)N(C=N2)CC3=CC=CC=C3.[K+]

InChI

InChI=1S/C16H18N4O2.K/c1-2-3-9-20-14-13(15(21)18-16(20)22)19(11-17-14)10-12-7-5-4-6-8-12;/h4-8,11H,2-3,9-10H2,1H3,(H,18,21,22);/q;+1/p-1